 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer16_STD_wB97XD_def2SVPD.in
 Output=26_junionone_conformer16_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-46302.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46308.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer16_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer16_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.485066000000      1.535508000000      0.995717000000
  C                                                -1.964270000000      0.354337000000      0.169547000000
  C                                                -0.934638000000     -0.307866000000     -0.846345000000
  C                                                 0.477967000000      0.112788000000     -0.654337000000
  C                                                 1.471106000000     -0.598339000000     -0.115965000000
  C                                                 2.851804000000     -0.112191000000      0.077031000000
  O                                                 3.682669000000     -0.839361000000      0.588984000000
  C                                                -3.274545000000      0.684558000000     -0.534829000000
  C                                                -2.024735000000     -1.012418000000      0.905189000000
  C                                                -1.363686000000     -1.694239000000     -0.311922000000
  C                                                 3.216658000000      1.291528000000     -0.361451000000
  H                                                -3.015985000000     -1.360206000000      1.197288000000
  H                                                -1.377025000000     -1.026699000000      1.782146000000
  H                                                -1.206644000000     -0.112214000000     -1.887536000000
  H                                                -0.575354000000     -2.414544000000     -0.105810000000
  H                                                -2.088300000000     -2.168848000000     -0.971807000000
  H                                                -1.347999000000      2.427758000000      0.379001000000
  H                                                -0.540528000000      1.319655000000      1.496298000000
  H                                                -2.223853000000      1.776479000000      1.764262000000
  H                                                -4.046771000000      0.944947000000      0.193127000000
  H                                                -3.639778000000     -0.160746000000     -1.121415000000
  H                                                -3.149481000000      1.533679000000     -1.211412000000
  H                                                 0.689742000000      1.126725000000     -0.981414000000
  H                                                 1.317618000000     -1.613357000000      0.229455000000
  H                                                 3.040069000000      1.424253000000     -1.430781000000
  H                                                 4.267803000000      1.463502000000     -0.144304000000
  H                                                 2.611565000000      2.032515000000      0.165225000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518999   0.000000
     3  C    2.663492   1.590815   0.000000
     4  C    2.932628   2.588755   1.486361   0.000000
     5  C    3.811574   3.576439   2.530896   1.334867   0.000000
     6  C    4.729412   4.839502   3.902314   2.494116   1.476453
     7  O    5.701835   5.786948   4.864379   3.566868   2.333679
     8  C    2.503782   1.523815   2.560686   3.797703   4.933809
     9  C    2.606025   1.553333   2.180040   3.156220   3.665395
    10  C    3.486534   2.188419   1.546519   2.602745   3.045561
    11  C    4.899759   5.291720   4.475091   2.995937   2.584340
    12  H    3.281692   2.258764   3.100945   4.219707   4.736989
    13  H    2.682359   2.202860   2.760687   3.267396   3.449372
    14  H    3.332515   2.241262   1.093776   2.099838   3.247326
    15  H    4.200458   3.109921   2.261762   2.792449   2.736184
    16  H    4.237605   2.772099   2.193155   3.448532   3.983508
    17  H    1.093269   2.173186   3.025885   3.124264   4.165286
    18  H    1.090562   2.172360   2.879605   2.668162   3.213217
    19  H    1.092948   2.152437   3.580759   3.989652   4.777838
    20  H    2.748681   2.164760   3.512181   4.678027   5.737964
    21  H    3.464435   2.176975   2.723066   4.153168   5.227194
    22  H    2.764362   2.168553   2.903462   3.935434   5.205317
    23  H    2.967480   2.994173   2.171383   1.086230   2.082157
    24  H    4.284571   3.827035   2.816791   2.113215   1.083114
    25  H    5.135866   5.361826   4.374940   2.981136   2.877719
    26  H    5.865180   6.337782   5.540397   4.055542   3.474695
    27  H    4.209408   4.873866   4.367632   2.984841   2.881164
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.217049   0.000000
     8  C    6.208167   7.210278   0.000000
     9  C    5.027612   5.718776   2.552529   0.000000
    10  C    4.519349   5.196936   3.059370   1.543770   0.000000
    11  C    1.515194   2.379324   6.521824   5.863851   5.467797
    12  H    6.102742   6.746353   2.692237   1.090346   2.262606
    13  H    4.650456   5.201849   3.449254   1.090315   2.197933
    14  H    4.508938   5.528768   2.596320   3.046137   2.238308
    15  H    4.132756   4.592897   4.132085   2.255833   1.087561
    16  H    5.452937   6.124352   3.120906   2.205558   1.088929
    17  H    4.917405   6.002148   2.754162   3.545371   4.179531
    18  H    3.946190   4.829075   3.464632   2.826808   3.609821
    19  H    5.672400   6.565889   2.753555   2.924996   4.134769
    20  H    6.980068   7.942588   1.092728   2.902919   3.797278
    21  H    6.601459   7.550113   1.091795   2.727789   2.861376
    22  H    6.354872   7.453256   1.092892   3.496808   3.797052
    23  H    2.707348   3.910148   4.013791   3.937460   3.552833
    24  H    2.151850   2.514318   5.191580   3.462523   2.736608
    25  H    2.160926   3.101021   6.420610   6.086572   5.510889
    26  H    2.129988   2.486618   7.592515   6.843073   6.458567
    27  H    2.159921   3.094270   6.078927   5.595931   5.469825
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.950338   0.000000
    13  H    5.574146   1.771857   0.000000
    14  H    4.885185   3.787788   3.785747   0.000000
    15  H    5.308453   2.960806   2.476523   2.978892   0.000000
    16  H    6.363122   2.493887   3.065073   2.417772   1.760489
    17  H    4.761867   4.219057   3.728664   3.407144   4.927465
    18  H    4.191476   3.660458   2.507352   3.734206   4.063521
    19  H    5.861143   3.284467   2.928352   4.235269   4.876412
    20  H    7.292810   2.717460   3.679662   3.676013   4.840070
    21  H    7.049635   2.684065   3.781612   2.551360   3.937227
    22  H    6.427192   3.767523   4.319552   2.634525   4.841172
    23  H    2.607071   4.966284   4.067680   2.439735   3.861054
    24  H    3.520494   4.447572   3.164825   3.620356   2.082702
    25  H    1.091909   7.164897   5.986717   4.539155   5.437205
    26  H    1.087030   7.926334   6.463466   5.957458   6.204586
    27  H    1.092056   6.651694   5.280348   4.836570   5.477796
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.847836   0.000000
    18  H    4.544975   1.768687   0.000000
    19  H    4.803130   1.763585   1.764674   0.000000
    20  H    3.858549   3.084906   3.759309   2.546162   0.000000
    21  H    2.542035   3.768800   4.318490   3.752974   1.765282
    22  H    3.859044   2.564006   3.766183   3.125760   1.767615
    23  H    4.310268   2.774131   2.773057   4.055854   4.883354
    24  H    3.654022   4.843396   3.695965   5.136987   5.943308
    25  H    6.278630   4.851543   4.625949   6.167758   7.286296
    26  H    7.367413   5.721964   5.082550   6.773638   8.337560
    27  H    6.405702   3.984980   3.495084   5.099386   6.746630
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766230   0.000000
    23  H    4.519062   3.867576   0.000000
    24  H    5.339542   5.651098   3.060798   0.000000
    25  H    6.872284   6.194403   2.411325   3.866561   0.000000
    26  H    8.131591   7.493981   3.690080   4.279059   1.778734
    27  H    6.748713   5.944209   2.414258   3.869213   1.760918
                   26         27
    26  H    0.000000
    27  H    1.778400   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2237449           0.5495901           0.5003487
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       614.7756254778 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0198655201 Hartrees.
 Nuclear repulsion after empirical dispersion term =      614.7557599578 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.56D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer16_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.430517923777    
 DIIS: error= 3.34D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.430517923777     IErMin= 1 ErrMin= 3.34D-03
 ErrMax= 3.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.34D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.21D-03 MaxDP=6.55D-01              OVMax= 1.56D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.71D-03    CP:  1.12D+00
 E= -465.440196415842     Delta-E=       -0.009678492066 Rises=F Damp=F
 DIIS: error= 9.09D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.440196415842     IErMin= 2 ErrMin= 9.09D-04
 ErrMax= 9.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-04 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.09D-03
 Coeff-Com: -0.294D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.292D-01 0.103D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=9.84D-04 MaxDP=1.21D-01 DE=-9.68D-03 OVMax= 7.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.34D-04    CP:  1.15D+00  1.11D+00
 E= -465.440513693332     Delta-E=       -0.000317277490 Rises=F Damp=F
 DIIS: error= 9.04D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.440513693332     IErMin= 3 ErrMin= 9.04D-04
 ErrMax= 9.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-04 BMatP= 2.85D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.04D-03
 Coeff-Com: -0.444D-01 0.483D+00 0.561D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.440D-01 0.479D+00 0.565D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=7.91D-03 DE=-3.17D-04 OVMax= 3.68D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.03D-05    CP:  1.15D+00  1.12D+00  1.03D+00
 E= -465.440666498672     Delta-E=       -0.000152805340 Rises=F Damp=F
 DIIS: error= 3.03D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.440666498672     IErMin= 4 ErrMin= 3.03D-04
 ErrMax= 3.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-05 BMatP= 2.15D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.03D-03
 Coeff-Com: -0.165D-01 0.106D+00 0.253D+00 0.657D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.164D-01 0.106D+00 0.252D+00 0.658D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=4.98D-05 MaxDP=2.23D-03 DE=-1.53D-04 OVMax= 1.45D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.33D-05    CP:  1.15D+00  1.12D+00  1.06D+00  1.07D+00
 E= -465.440682539741     Delta-E=       -0.000016041070 Rises=F Damp=F
 DIIS: error= 7.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.440682539741     IErMin= 5 ErrMin= 7.55D-05
 ErrMax= 7.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-06 BMatP= 2.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-02-0.449D-01-0.167D-01 0.250D+00 0.810D+00
 Coeff:      0.174D-02-0.449D-01-0.167D-01 0.250D+00 0.810D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=2.09D-05 MaxDP=1.03D-03 DE=-1.60D-05 OVMax= 5.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.53D-05    CP:  1.15D+00  1.12D+00  1.09D+00  1.10D+00  9.84D-01
 E= -465.440684999784     Delta-E=       -0.000002460043 Rises=F Damp=F
 DIIS: error= 7.21D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.440684999784     IErMin= 6 ErrMin= 7.21D-06
 ErrMax= 7.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-08 BMatP= 2.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.969D-03-0.145D-01-0.113D-01 0.312D-01 0.184D+00 0.810D+00
 Coeff:      0.969D-03-0.145D-01-0.113D-01 0.312D-01 0.184D+00 0.810D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=5.78D-06 MaxDP=4.46D-04 DE=-2.46D-06 OVMax= 1.29D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.67D-06    CP:  1.15D+00  1.12D+00  1.09D+00  1.11D+00  1.01D+00
                    CP:  1.08D+00
 E= -465.440685077423     Delta-E=       -0.000000077639 Rises=F Damp=F
 DIIS: error= 4.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.440685077423     IErMin= 7 ErrMin= 4.22D-06
 ErrMax= 4.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.35D-09 BMatP= 5.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-03-0.195D-03-0.940D-03-0.156D-01-0.209D-01 0.260D+00
 Coeff-Com:  0.778D+00
 Coeff:      0.147D-03-0.195D-03-0.940D-03-0.156D-01-0.209D-01 0.260D+00
 Coeff:      0.778D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=1.06D-04 DE=-7.76D-08 OVMax= 5.82D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.07D-06    CP:  1.15D+00  1.12D+00  1.09D+00  1.11D+00  1.02D+00
                    CP:  1.15D+00  1.00D+00
 E= -465.440685092796     Delta-E=       -0.000000015374 Rises=F Damp=F
 DIIS: error= 8.06D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.440685092796     IErMin= 8 ErrMin= 8.06D-07
 ErrMax= 8.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.39D-10 BMatP= 9.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-03 0.201D-02 0.169D-02-0.908D-02-0.328D-01-0.584D-01
 Coeff-Com:  0.185D+00 0.912D+00
 Coeff:     -0.102D-03 0.201D-02 0.169D-02-0.908D-02-0.328D-01-0.584D-01
 Coeff:      0.185D+00 0.912D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=6.73D-07 MaxDP=2.53D-05 DE=-1.54D-08 OVMax= 3.42D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.48D-07    CP:  1.15D+00  1.12D+00  1.09D+00  1.11D+00  1.02D+00
                    CP:  1.17D+00  1.06D+00  1.11D+00
 E= -465.440685095041     Delta-E=       -0.000000002245 Rises=F Damp=F
 DIIS: error= 1.98D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.440685095041     IErMin= 9 ErrMin= 1.98D-07
 ErrMax= 1.98D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-11 BMatP= 9.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.320D-04 0.433D-03 0.449D-03-0.937D-03-0.526D-02-0.301D-01
 Coeff-Com: -0.213D-01 0.195D+00 0.862D+00
 Coeff:     -0.320D-04 0.433D-03 0.449D-03-0.937D-03-0.526D-02-0.301D-01
 Coeff:     -0.213D-01 0.195D+00 0.862D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=1.71D-07 MaxDP=5.67D-06 DE=-2.24D-09 OVMax= 8.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  1.15D+00  1.12D+00  1.09D+00  1.11D+00  1.02D+00
                    CP:  1.17D+00  1.07D+00  1.20D+00  1.04D+00
 E= -465.440685095167     Delta-E=       -0.000000000126 Rises=F Damp=F
 DIIS: error= 7.77D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.440685095167     IErMin=10 ErrMin= 7.77D-08
 ErrMax= 7.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.40D-12 BMatP= 6.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-05-0.139D-03-0.832D-04 0.852D-03 0.285D-02 0.601D-03
 Coeff-Com: -0.289D-01-0.567D-01 0.213D+00 0.868D+00
 Coeff:      0.405D-05-0.139D-03-0.832D-04 0.852D-03 0.285D-02 0.601D-03
 Coeff:     -0.289D-01-0.567D-01 0.213D+00 0.868D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=7.59D-08 MaxDP=7.03D-06 DE=-1.26D-10 OVMax= 3.96D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.85D-08    CP:  1.15D+00  1.12D+00  1.09D+00  1.11D+00  1.02D+00
                    CP:  1.17D+00  1.07D+00  1.21D+00  1.11D+00  1.10D+00
 E= -465.440685095183     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 4.23D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.440685095183     IErMin=11 ErrMin= 4.23D-08
 ErrMax= 4.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-12 BMatP= 8.40D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.563D-05-0.116D-03-0.904D-04 0.498D-03 0.193D-02 0.376D-02
 Coeff-Com: -0.111D-01-0.488D-01-0.241D-01 0.372D+00 0.706D+00
 Coeff:      0.563D-05-0.116D-03-0.904D-04 0.498D-03 0.193D-02 0.376D-02
 Coeff:     -0.111D-01-0.488D-01-0.241D-01 0.372D+00 0.706D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=2.38D-08 MaxDP=7.92D-07 DE=-1.68D-11 OVMax= 6.95D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.73D-08    CP:  1.15D+00  1.12D+00  1.09D+00  1.11D+00  1.02D+00
                    CP:  1.17D+00  1.07D+00  1.21D+00  1.13D+00  1.19D+00
                    CP:  1.10D+00
 E= -465.440685095187     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.04D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.440685095187     IErMin=12 ErrMin= 1.04D-08
 ErrMax= 1.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-13 BMatP= 2.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-05-0.146D-04-0.122D-04 0.235D-04 0.172D-03 0.943D-03
 Coeff-Com:  0.681D-03-0.411D-02-0.317D-01 0.534D-02 0.168D+00 0.861D+00
 Coeff:      0.108D-05-0.146D-04-0.122D-04 0.235D-04 0.172D-03 0.943D-03
 Coeff:      0.681D-03-0.411D-02-0.317D-01 0.534D-02 0.168D+00 0.861D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=6.73D-09 MaxDP=4.46D-07 DE=-3.18D-12 OVMax= 3.60D-07

 SCF Done:  E(RwB97XD) =  -465.440685095     A.U. after   12 cycles
            NFock= 12  Conv=0.67D-08     -V/T= 2.0119
 KE= 4.599835284119D+02 PE=-2.307265724250D+03 EE= 7.670857507855D+02
 Leave Link  502 at Fri Aug 13 10:51:13 2021, MaxMem=  5368709120 cpu:            1934.3 elap:             242.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.54022269D+02

 Leave Link  801 at Fri Aug 13 10:51:14 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.33D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.50D-01 6.50D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.36D-02 7.17D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.45D-03 1.66D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.67D-04 3.47D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.67D-05 7.17D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 5.46D-07 1.34D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.97D-08 1.98D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.04D-10 3.27D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.01D-11 4.86D-07.
      9 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 2.33D-13 7.09D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.03D-14 9.67D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.163171D+03
      2 -0.622358D+01  0.117038D+03
      3  0.764306D+01 -0.412760D+01  0.101706D+03
 Isotropic polarizability for W=    0.085645      127.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.520329D+02 -0.177352D+02  0.407677D+02
      2  -0.135504D+02  0.189257D+02 -0.138938D+02
      3  -0.384825D+02 -0.119041D+01 -0.268739D+02
      4   0.458320D+01 -0.350640D+02 -0.373325D+02
      5   0.324708D+02 -0.372129D+02 -0.736458D+02
      6  -0.156685D+02  0.196935D+01  0.226574D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.394442D+01 -0.362384D+01 -0.806703D+01
      2   0.450935D+02 -0.165650D+02 -0.283765D+02
      3  -0.395370D+00  0.200608D+02  0.135667D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.119541D+00  0.158632D+02 -0.238478D+02
      2   0.829688D+01 -0.216639D+02 -0.351633D+02
      3   0.223184D+02  0.215136D+02  0.215444D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.146925D+01 -0.734741D+01  0.192442D+01
      2  -0.734741D+01  0.333960D+01  0.372721D+00
      3   0.192442D+01  0.372721D+00 -0.924201D+00
 OR G Eigenvalues:    -7.2946    -0.4977     8.7384  Iso=    -0.3154
 Eigenvectors:
   (1)   0.787637   0.553670  -0.270330
   (2)   0.168181   0.228892   0.958814
   (3)  -0.592743   0.800661  -0.087167
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3154 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -98.25 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.02D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.20D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.10D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 8.07D-02 5.23D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.33D-03 1.10D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 5.68D-05 1.45D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.13D-06 1.92D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.45D-08 1.40D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.38D-10 9.72D-07.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.08D-12 9.08D-08.
     17 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 8.33D-15 8.07D-09.
      2 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 2.25D-15 3.23D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.66D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.66D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.35D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163171D+03 -0.622358D+01  0.764306D+01
      2  -0.622358D+01  0.117038D+03 -0.412760D+01
      3   0.764306D+01 -0.412760D+01  0.101706D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.394442D+01 -0.362384D+01 -0.806703D+01
      2   0.450935D+02 -0.165650D+02 -0.283765D+02
      3  -0.395370D+00  0.200608D+02  0.135667D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.520329D+02 -0.177352D+02  0.407677D+02
      2  -0.135504D+02  0.189257D+02 -0.138938D+02
      3  -0.384825D+02 -0.119041D+01 -0.268739D+02
      4   0.458320D+01 -0.350640D+02 -0.373325D+02
      5   0.324708D+02 -0.372129D+02 -0.736458D+02
      6  -0.156685D+02  0.196935D+01  0.226574D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.135833D+01 -0.246945D+00 -0.448072D+01  0.733402D+00  0.578513D+00
      2  -0.246945D+00  0.592775D+00  0.248957D+01  0.578513D+00 -0.295534D+01
      3  -0.448072D+01  0.248957D+01  0.154189D+01  0.231988D+01  0.317028D+01
                 6             7             8             9            10 
      1   0.231988D+01 -0.574434D+01  0.272120D+01  0.176835D+01 -0.158864D+02
      2   0.317028D+01  0.272120D+01  0.330621D+01 -0.174997D+01  0.256148D+01
      3  -0.796570D+00  0.176835D+01 -0.174997D+01 -0.208842D+01  0.481406D+01
                11            12            13            14            15 
      1   0.256148D+01  0.481406D+01  0.906279D+01 -0.291685D+01 -0.253455D+01
      2  -0.201732D+01 -0.221786D+01 -0.291685D+01  0.385005D+01 -0.319394D+01
      3  -0.221786D+01 -0.102949D+01 -0.253455D+01 -0.319394D+01  0.151525D+01
                16            17            18            19            20 
      1   0.181133D+02 -0.371636D+01 -0.322956D+01  0.332393D+02 -0.426329D+01
      2  -0.371636D+01 -0.271823D+01  0.174463D+01 -0.426329D+01  0.262635D+01
      3  -0.322956D+01  0.174463D+01  0.546799D+00 -0.621029D+00  0.874497D+00
                21            22            23            24            25 
      1  -0.621029D+00 -0.116282D+02  0.372495D+01  0.155234D+01 -0.562574D+01
      2   0.874497D+00  0.372495D+01  0.173895D+01 -0.184400D+01  0.209538D+01
      3   0.202551D+01  0.155234D+01 -0.184400D+01 -0.218082D+01  0.562824D+01
                26            27            28            29            30 
      1   0.209538D+01  0.562824D+01 -0.497285D+02  0.572241D+01 -0.490273D+01
      2  -0.241131D+01 -0.244170D+01  0.572241D+01 -0.229969D+01  0.888833D-01
      3  -0.244170D+01  0.478540D+01 -0.490273D+01  0.888833D-01 -0.216758D+01
                31            32            33            34            35 
      1   0.146051D+02 -0.543564D+01  0.131351D+01 -0.151794D+02  0.117837D+00
      2  -0.543564D+01 -0.151593D+01  0.118300D+01  0.117837D+00  0.144051D+01
      3   0.131351D+01  0.118300D+01  0.833535D+00 -0.705971D+01  0.905796D+00
                36            37            38            39            40 
      1  -0.705971D+01  0.496709D+02 -0.717314D+01  0.777743D+01 -0.103398D+02
      2   0.905796D+00 -0.717314D+01  0.148620D+01 -0.555469D+00  0.416414D+01
      3  -0.529466D+01  0.777743D+01 -0.555469D+00  0.280636D+01 -0.576168D+00
                41            42            43            44            45 
      1   0.416414D+01 -0.576168D+00  0.158939D+02 -0.110849D+01  0.622347D+01
      2   0.201261D+01 -0.187709D+01 -0.110849D+01 -0.214765D+01 -0.101986D+01
      3  -0.187709D+01 -0.111388D+01  0.622347D+01 -0.101986D+01  0.303539D+01
                46            47            48            49            50 
      1  -0.361535D+02  0.676203D+01 -0.809910D+01  0.731050D+01 -0.336153D+01
      2   0.676203D+01 -0.185042D+01  0.216459D+01 -0.336153D+01 -0.130897D+01
      3  -0.809910D+01  0.216459D+01 -0.185575D+01  0.312376D+01  0.353111D-01
                51            52            53            54            55 
      1   0.312376D+01 -0.119749D+02  0.318929D+01 -0.298065D+01  0.296894D+02
      2   0.353111D-01  0.318929D+01  0.245405D+00  0.947704D+00 -0.618496D+01
      3   0.115020D+01 -0.298065D+01  0.947704D+00 -0.136283D+01  0.610668D+01
                56            57            58            59            60 
      1  -0.618496D+01  0.610668D+01 -0.199527D+02  0.667625D+01 -0.428328D+01
      2   0.311739D+01 -0.148138D+01  0.667625D+01 -0.541040D+01  0.218269D+01
      3  -0.148138D+01  0.263193D+01 -0.428328D+01  0.218269D+01 -0.223210D+01
                61            62            63            64            65 
      1   0.134464D+02 -0.222407D+01  0.669674D+01  0.236054D+01 -0.199759D+00
      2  -0.222407D+01  0.135155D+01 -0.270803D+01 -0.199759D+00  0.122070D+01
      3   0.669674D+01 -0.270803D+01  0.469683D+01 -0.422730D+01  0.256546D+01
                66            67            68            69            70 
      1  -0.422730D+01  0.796654D-01  0.217281D+01  0.239227D+01 -0.700560D+01
      2   0.256546D+01  0.217281D+01 -0.108267D+01  0.445211D+01  0.252902D+01
      3   0.879819D+00  0.239227D+01  0.445211D+01 -0.945582D+00  0.263039D+01
                71            72            73            74            75 
      1   0.252902D+01  0.263039D+01  0.564271D+01  0.200507D+01 -0.322568D+01
      2   0.414054D+01 -0.138334D+01  0.200507D+01  0.570420D+00 -0.165700D+01
      3  -0.138334D+01  0.103173D+01 -0.322568D+01 -0.165700D+01 -0.198484D+01
                76            77            78            79            80 
      1   0.320668D+01  0.657141D-01 -0.195788D+01 -0.404824D+01 -0.941504D+00
      2   0.657141D-01 -0.477577D+01  0.306977D+01 -0.941504D+00  0.276264D+01
      3  -0.195788D+01  0.306977D+01  0.929082D+00 -0.208203D+01  0.123021D+01
                81            82            83            84            85 
      1  -0.208203D+01  0.367929D+00  0.138872D+01  0.923235D+00  0.645633D+00
      2   0.123021D+01  0.138872D+01 -0.231018D+01  0.259327D+01 -0.239194D+01
      3  -0.119569D+01  0.923235D+00  0.259327D+01  0.259667D+01  0.221594D+01
                86            87            88            89            90 
      1  -0.239194D+01  0.221594D+01  0.116708D+00  0.359246D+01  0.258306D+01
      2   0.671501D-01  0.146919D+01  0.359246D+01  0.159708D+01 -0.818879D+00
      3   0.146919D+01 -0.491913D+00  0.258306D+01 -0.818879D+00 -0.138474D+01
                91            92            93            94            95 
      1  -0.799217D+01 -0.184271D+01 -0.206540D+01  0.424867D+00  0.345126D+01
      2  -0.184271D+01  0.326007D+01 -0.126187D+00  0.345126D+01  0.386743D+00
      3  -0.206540D+01 -0.126187D+00  0.145988D+01 -0.192694D+00 -0.142621D+01
                96            97            98            99           100 
      1  -0.192694D+00 -0.326462D+01 -0.376841D+00  0.406466D+00 -0.817303D+01
      2  -0.142621D+01 -0.376841D+00 -0.155358D+01 -0.198683D+01 -0.273081D+01
      3  -0.127738D+01  0.406466D+00 -0.198683D+01  0.427144D+01  0.337847D+01
               101           102           103           104           105 
      1  -0.273081D+01  0.337847D+01 -0.150610D+01 -0.186346D+01  0.938258D+00
      2  -0.238115D+01  0.129370D+01 -0.186346D+01 -0.133846D+01  0.689799D+00
      3   0.129370D+01 -0.221150D+01  0.938258D+00  0.689799D+00 -0.809282D+00
               106           107           108           109           110 
      1   0.130371D+01  0.868513D+00 -0.161801D+01  0.154969D+01 -0.400513D+00
      2   0.868513D+00  0.446111D+00 -0.962089D+00 -0.400513D+00  0.971474D+00
      3  -0.161801D+01 -0.962089D+00  0.193261D+01  0.148625D+01 -0.166084D+00
               111           112           113           114           115 
      1   0.148625D+01  0.211320D+00  0.196917D+00  0.134311D+00  0.108026D+01
      2  -0.166084D+00  0.196917D+00  0.179784D-01  0.544624D+00 -0.280342D-01
      3   0.296523D+01  0.134311D+00  0.544624D+00 -0.273241D+00  0.127439D+01
               116           117           118           119           120 
      1  -0.280342D-01  0.127439D+01 -0.456988D+01  0.983692D+00 -0.173266D+01
      2   0.121677D+01 -0.971597D+00  0.983692D+00 -0.538908D+00  0.168173D+00
      3  -0.971597D+00  0.619545D+01 -0.173266D+01  0.168173D+00 -0.180617D+01
               121           122           123           124           125 
      1   0.485279D+01 -0.957963D+00  0.352186D+00 -0.307709D+01 -0.615548D-01
      2  -0.957963D+00  0.420808D+00 -0.113484D+01 -0.615548D-01 -0.994269D+00
      3   0.352186D+00 -0.113484D+01  0.138703D+01 -0.322492D+01  0.114674D+01
               126           127           128           129           130 
      1  -0.322492D+01  0.241789D+01 -0.179714D+01 -0.452585D+00 -0.141414D+01
      2   0.114674D+01 -0.179714D+01  0.348577D+01 -0.127177D+00  0.175770D+01
      3  -0.868857D+01 -0.452585D+00 -0.127177D+00  0.401080D+00 -0.224785D+00
               131           132           133           134           135 
      1   0.175770D+01 -0.224785D+00  0.256008D+00 -0.512773D+00 -0.182330D-01
      2  -0.543059D+01 -0.247520D+00 -0.512773D+00  0.659273D+00 -0.816759D+00
      3  -0.247520D+00 -0.749593D+00 -0.182330D-01 -0.816759D+00  0.273942D+00
               136           137           138           139           140 
      1  -0.366141D+01 -0.231967D+01 -0.164364D+01 -0.154723D+01 -0.173014D+01
      2  -0.231967D+01 -0.247247D+01 -0.161553D+01 -0.173014D+01 -0.325425D+01
      3  -0.164364D+01 -0.161553D+01 -0.215039D+01 -0.113504D+01 -0.186983D+01
               141           142           143           144           145 
      1  -0.113504D+01 -0.213132D+01 -0.179503D+01 -0.184255D+01  0.523533D+00
      2  -0.186983D+01 -0.179503D+01 -0.266607D+01 -0.197737D+01  0.962600D+00
      3  -0.147139D+01 -0.184255D+01 -0.197737D+01 -0.280378D+01  0.439286D-01
               146           147           148           149           150 
      1   0.962600D+00  0.439286D-01  0.875493D+00  0.252917D+00 -0.292678D+00
      2   0.563686D+00 -0.411052D+00  0.252917D+00  0.760690D+01 -0.156367D+01
      3  -0.411052D+00 -0.485108D-01 -0.292678D+00 -0.156367D+01  0.156749D+01
               151           152           153           154           155 
      1  -0.365036D+00 -0.313316D+00 -0.440606D-01  0.558641D+01 -0.235330D+00
      2  -0.313316D+00 -0.374930D+01  0.156543D+01 -0.235330D+00  0.142301D+01
      3  -0.440606D-01  0.156543D+01 -0.139279D+01  0.186683D+01  0.380174D+00
               156           157           158           159           160 
      1   0.186683D+01 -0.113805D+01  0.747561D+00 -0.152605D+00  0.169396D+01
      2   0.380174D+00  0.747561D+00 -0.205807D+00 -0.144558D+00  0.134783D+00
      3   0.200268D+01 -0.152605D+00 -0.144558D+00 -0.445777D+00  0.142205D+01
               161           162           163           164           165 
      1   0.134783D+00  0.142205D+01 -0.413652D+01  0.180887D+01  0.300354D+01
      2   0.264164D+00  0.440661D+00  0.180887D+01 -0.226922D+01 -0.181065D+01
      3   0.440661D+00  0.232151D+01  0.300354D+01 -0.181065D+01 -0.319547D+01
               166           167           168           169           170 
      1   0.544835D+00 -0.120033D+01 -0.919815D+00  0.276395D+01 -0.154047D+01
      2  -0.120033D+01  0.181777D+01  0.101345D+01 -0.154047D+01  0.169847D+01
      3  -0.919815D+00  0.101345D+01  0.104747D+01 -0.287976D+01  0.234781D+01
               171           172           173           174           175 
      1  -0.287976D+01 -0.724910D+01  0.188101D+01  0.233505D+01  0.186490D+01
      2   0.234781D+01  0.188101D+01 -0.134866D+01 -0.754835D+00 -0.181346D+01
      3   0.486169D+01  0.233505D+01 -0.754835D+00 -0.170851D+01 -0.675410D+00
               176           177           178           179           180 
      1  -0.181346D+01 -0.675410D+00  0.621896D+01 -0.166663D+01 -0.246665D+01
      2   0.125222D+01  0.182901D+00 -0.166663D+01  0.100960D+01  0.883574D+00
      3   0.182901D+00  0.639188D+00 -0.246665D+01  0.883574D+00  0.231439D+01
               181           182           183           184           185 
      1  -0.245898D+01 -0.136342D+01 -0.100436D+01 -0.318712D+01 -0.159568D+01
      2  -0.136342D+01 -0.101786D+01 -0.928866D+00 -0.159568D+01 -0.312546D+01
      3  -0.100436D+01 -0.928866D+00 -0.119507D+01 -0.174838D+01 -0.199054D+01
               186           187           188           189           190 
      1  -0.174838D+01 -0.153202D+01 -0.106474D+01 -0.197652D+01 -0.153024D+00
      2  -0.199054D+01 -0.106474D+01 -0.191082D+01 -0.124830D+01  0.600882D+00
      3  -0.206045D+01 -0.197652D+01 -0.124830D+01 -0.275354D+01 -0.127470D+00
               191           192           193           194           195 
      1   0.600882D+00 -0.127470D+00  0.186974D+01 -0.157140D+01  0.722809D+00
      2   0.326321D+00 -0.373202D+00 -0.157140D+01  0.515070D+01 -0.310377D+01
      3  -0.373202D+00  0.295399D+00  0.722809D+00 -0.310377D+01  0.276071D+01
               196           197           198           199           200 
      1  -0.740008D+00  0.614648D+00 -0.123277D+01 -0.363142D+00  0.132016D+01
      2   0.614648D+00 -0.315112D+01  0.260612D+01  0.132016D+01  0.860562D+00
      3  -0.123277D+01  0.260612D+01 -0.347550D+01 -0.747886D+00 -0.235291D+00
               201           202           203           204           205 
      1  -0.747886D+00  0.157851D+01  0.105660D+01 -0.522538D-01 -0.206972D+01
      2  -0.235291D+00  0.105660D+01  0.531501D+01 -0.185976D+01  0.297481D+00
      3  -0.676763D-01 -0.522538D-01 -0.185976D+01  0.149671D+01  0.803323D+00
               206           207           208           209           210 
      1   0.297481D+00  0.803323D+00  0.566108D+00 -0.101533D+01  0.490379D+00
      2  -0.160727D+01  0.996990D+00 -0.101533D+01 -0.200096D+00 -0.544419D-02
      3   0.996990D+00 -0.620178D+00  0.490379D+00 -0.544419D-02  0.142598D+00
               211           212           213           214           215 
      1  -0.195748D+01 -0.482328D+00 -0.790819D-01  0.899712D+00 -0.207001D+00
      2  -0.482328D+00 -0.601548D+01  0.147775D+01 -0.207001D+00  0.190326D+01
      3  -0.790819D-01  0.147775D+01 -0.122966D+01 -0.243189D+00 -0.952026D+00
               216           217           218           219           220 
      1  -0.243189D+00  0.115720D+01  0.167730D+00 -0.523535D+00  0.923196D+00
      2  -0.952026D+00  0.167730D+00 -0.888366D+00  0.157189D+00  0.755233D-02
      3   0.671204D+00 -0.523535D+00  0.157189D+00 -0.510972D+00  0.125877D-01
               221           222           223           224           225 
      1   0.755233D-02  0.125877D-01 -0.203786D+01 -0.944757D+00  0.818407D+00
      2   0.108002D+01 -0.929276D+00 -0.944757D+00 -0.210725D+01  0.201532D+01
      3  -0.929276D+00  0.990654D+00  0.818407D+00  0.201532D+01 -0.705475D+01
               226           227           228           229           230 
      1   0.987418D+01  0.281947D+01  0.632626D+00  0.143575D+01  0.111633D+01
      2   0.281947D+01  0.184981D+01  0.181113D+00  0.111633D+01  0.828631D+00
      3   0.632626D+00  0.181113D+00  0.122485D+01  0.138301D+00  0.333373D+00
               231           232           233           234           235 
      1   0.138301D+00  0.159238D+01  0.516092D+00  0.109788D+01 -0.761795D+00
      2   0.333373D+00  0.516092D+00  0.661289D+00  0.548046D+00  0.788908D+00
      3   0.269642D+00  0.109788D+01  0.548046D+00  0.150577D+00  0.995625D+00
               236           237           238           239           240 
      1   0.788908D+00  0.995625D+00  0.244574D+01 -0.648487D+00 -0.391540D+00
      2  -0.276019D+01 -0.490600D+00 -0.648487D+00  0.487358D+01  0.138075D+01
      3  -0.490600D+00 -0.104197D+01 -0.391540D+00  0.138075D+01  0.149067D+01
               241           242           243 
      1   0.141663D+01 -0.175143D+00 -0.454163D+00
      2  -0.175143D+00  0.231398D+01  0.165774D+01
      3  -0.454163D+00  0.165774D+01  0.102648D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.100561D+02 -0.486321D+01  0.345076D+00 -0.253245D+01 -0.120189D+02
      2   0.134996D+02 -0.289911D+01  0.512443D+01 -0.536225D+01 -0.486657D+01
      3  -0.582307D+01 -0.319977D+01 -0.532672D+01  0.428890D+01 -0.408261D+01
                 6             7             8             9            10 
      1   0.408651D+01 -0.896129D+00  0.115695D+02  0.278354D+01 -0.100191D+02
      2  -0.146522D+01  0.166566D+00 -0.933866D+00  0.167805D+01 -0.300049D+02
      3   0.980120D+01 -0.491562D+01  0.114408D+02  0.558477D-01  0.441368D+01
                11            12            13            14            15 
      1   0.337121D+01  0.172570D+01  0.280472D+01  0.539209D+01 -0.764221D+01
      2   0.816564D+01  0.580241D+01  0.175369D+02  0.612367D+01 -0.412605D+01
      3  -0.789044D+01 -0.341699D+01  0.103190D+01  0.632813D+01 -0.109480D+02
                16            17            18            19            20 
      1   0.853406D+01  0.400770D+00  0.148193D+00  0.106590D+02 -0.411326D+01
      2   0.149662D+02 -0.447079D+01 -0.426734D+01  0.342947D+02 -0.570256D+01
      3  -0.331992D+01 -0.122079D+02  0.263150D+01 -0.477611D+01 -0.150697D+01
                21            22            23            24            25 
      1  -0.241612D+01 -0.787192D+01 -0.524610D+01  0.208974D+00 -0.973746D+01
      2   0.133590D+01 -0.163789D+02  0.554896D+01  0.393585D+01 -0.185464D+02
      3   0.117037D+01  0.108796D+02 -0.394343D-01 -0.201398D+01 -0.452139D+00
                26            27            28            29            30 
      1   0.750079D+01  0.249153D+01 -0.117298D+02  0.141000D+01  0.645653D+00
      2   0.459539D+01  0.440562D+01 -0.351354D+02  0.274202D+01 -0.756941D+01
      3  -0.112490D+00 -0.208175D+01  0.589308D+01  0.315372D+01  0.279788D+01
                31            32            33            34            35 
      1   0.264437D+01  0.330890D+01 -0.223280D+01  0.249551D+01  0.222692D+01
      2   0.820430D+01 -0.338874D+01  0.137402D+01 -0.434956D+02  0.357954D+01
      3   0.182461D+02 -0.212807D+01  0.178137D+01  0.882091D+01  0.583718D+00
                36            37            38            39            40 
      1  -0.125716D+01  0.969903D+01 -0.132109D+01 -0.147715D+01 -0.802116D+01
      2  -0.118025D+02  0.411817D+02 -0.436050D+01  0.133833D+02 -0.571941D+01
      3   0.108317D+01  0.106217D+01 -0.687395D+01 -0.179124D+01  0.736268D+01
                41            42            43            44            45 
      1   0.595664D+00 -0.206799D+01 -0.273689D+01  0.157712D+01 -0.124771D+00
      2  -0.115152D+01  0.148858D+01  0.146061D+02 -0.247666D+00  0.800712D+01
      3  -0.104886D+02  0.558594D+01 -0.626512D+01  0.396358D+01 -0.140324D+01
                46            47            48            49            50 
      1  -0.807089D+01 -0.141570D+01  0.655112D+01 -0.136720D+01  0.840716D+01
      2  -0.240748D+02  0.415247D+01 -0.177968D+02  0.261566D+01 -0.166148D+01
      3  -0.750527D+01  0.866720D+01  0.276122D+01  0.175214D+02  0.358809D+01
                51            52            53            54            55 
      1   0.312728D+01  0.312788D+01  0.127401D+02 -0.464958D+01  0.425827D+01
      2   0.361179D+01 -0.281661D+02 -0.360510D-01 -0.100241D+02  0.188560D+02
      3   0.256929D+01  0.109852D+01  0.566779D+01 -0.167164D+01  0.324061D+01
                56            57            58            59            60 
      1   0.182157D+01 -0.787223D+00 -0.182914D+01 -0.309259D+01 -0.475466D+01
      2  -0.428238D+01  0.185269D+02 -0.122642D+02  0.697542D+01 -0.119348D+02
      3  -0.169032D+02  0.373876D+00 -0.667662D+01  0.172567D+02 -0.436013D+01
                61            62            63            64            65 
      1   0.216114D+01  0.308447D+00  0.272675D+01  0.340167D+01 -0.326909D+01
      2   0.170185D+02 -0.601550D+01  0.170216D+02  0.156101D+02 -0.938308D+01
      3  -0.800374D+00 -0.866601D+01  0.488214D+01  0.267360D+01  0.262600D+01
                66            67            68            69            70 
      1  -0.349898D+01 -0.475161D+01 -0.347245D+01 -0.415111D+01 -0.581982D+01
      2  -0.581517D+01 -0.856527D+01 -0.154822D+02  0.537212D+01 -0.183077D+02
      3   0.630618D+01  0.125993D+02 -0.271840D+01  0.201391D+02  0.583620D+01
                71            72            73            74            75 
      1   0.639728D+00 -0.456481D+00 -0.261215D+00 -0.319244D+01 -0.721014D+01
      2   0.773728D+01 -0.316290D+01  0.428515D+01 -0.146046D+01  0.126282D+02
      3   0.191087D+02 -0.301185D+01  0.294702D+00 -0.481614D+01 -0.399104D+00
                76            77            78            79            80 
      1   0.545411D+00 -0.294929D+01  0.523576D+01 -0.518934D+01  0.105049D+02
      2   0.270913D+01 -0.708263D+01  0.703207D+00  0.281144D+01 -0.597844D+00
      3   0.643590D+00 -0.120726D+02  0.108777D+02 -0.743318D-01  0.103811D+02
                81            82            83            84            85 
      1   0.153006D+01  0.602414D+00  0.984520D+01  0.741743D+01  0.130565D+02
      2   0.678384D+01 -0.139455D+00 -0.188227D+01 -0.462718D+00 -0.314283D+01
      3   0.778451D+01  0.213240D+01 -0.125148D+02  0.202208D+01 -0.439517D+01
                86            87            88            89            90 
      1   0.453380D+01 -0.707263D+01  0.520133D+01 -0.196783D+01 -0.408620D+01
      2  -0.333055D+01  0.183636D+01 -0.706703D+01  0.289051D+01  0.257934D+01
      3   0.594617D+01 -0.367613D+01  0.318205D+01 -0.674767D+01 -0.935074D+01
                91            92            93            94            95 
      1   0.297353D+01 -0.296526D+01 -0.467925D+01  0.233708D+00  0.271587D+01
      2  -0.972683D+01 -0.697752D+00  0.713575D+01  0.329810D+00 -0.348551D+01
      3  -0.812844D+00 -0.186942D+02 -0.293559D+01 -0.896922D+01  0.341513D+01
                96            97            98            99           100 
      1  -0.157227D+01  0.345890D+01  0.903255D+01 -0.731881D+01  0.117758D+01
      2  -0.273780D+01 -0.318767D+01 -0.777027D+01  0.151931D+02  0.168060D+01
      3   0.524224D+01 -0.181931D+01  0.730882D+01  0.969549D+01  0.411262D+01
               101           102           103           104           105 
      1  -0.256047D+01 -0.212054D+01 -0.554531D+00 -0.768562D+00 -0.177442D+01
      2  -0.603778D+00  0.414795D+01  0.114769D+01  0.110636D+00  0.122105D+01
      3  -0.542539D+01 -0.766566D+00 -0.446726D+00 -0.152399D+01 -0.151752D+00
               106           107           108           109           110 
      1  -0.946475D+00  0.445906D+00  0.150365D+01  0.110978D+01  0.255107D+01
      2  -0.130607D+01  0.116231D+01 -0.353529D+01 -0.665591D+01  0.105130D+01
      3  -0.104255D+01  0.651364D+00 -0.367378D+00 -0.343323D+01  0.141927D+01
               111           112           113           114           115 
      1   0.381244D+01  0.767500D+00  0.138400D+01 -0.703831D+00  0.193739D+01
      2  -0.807715D+01  0.529144D+00 -0.178210D+01  0.166793D+00 -0.822203D+01
      3  -0.261441D+01  0.174391D+01  0.686463D-02  0.778744D+00 -0.258387D+01
               116           117           118           119           120 
      1   0.257417D+01  0.644939D+01 -0.106218D+01  0.114290D+01 -0.354641D+00
      2   0.193056D+01 -0.154364D+02 -0.440345D+01  0.114716D+01  0.801614D+00
      3   0.178215D+01 -0.436675D+01  0.104756D+01 -0.157978D+01  0.622791D+00
               121           122           123           124           125 
      1   0.251743D+01 -0.721023D+00  0.820840D+00  0.174642D+01  0.462164D+01
      2   0.560101D+01 -0.351144D+00 -0.912975D+00 -0.355981D+01 -0.764401D+00
      3   0.978454D+00  0.663469D-01 -0.100112D+01  0.470513D+00 -0.110542D+01
               126           127           128           129           130 
      1  -0.264192D+01  0.297473D+00 -0.246864D+01  0.221877D+01 -0.126039D+01
      2   0.428883D+01  0.546975D+00  0.122285D+00  0.323242D+00  0.660013D+00
      3   0.123495D+01 -0.122775D+02  0.870641D+01  0.102222D+01  0.108409D+02
               131           132           133           134           135 
      1   0.190655D+01 -0.366840D+01  0.516200D+00 -0.873800D+00  0.141758D+01
      2   0.369672D+00 -0.347744D+00 -0.107092D+01  0.738186D+00 -0.461017D+00
      3  -0.119666D+02  0.285687D-01 -0.144418D+01  0.252240D+01 -0.128174D+01
               136           137           138           139           140 
      1  -0.249234D+01 -0.176652D+01 -0.501929D+01 -0.158600D+01 -0.223487D+01
      2  -0.114707D+01  0.949759D+00  0.320108D+01  0.300274D+00  0.125819D+01
      3   0.489458D+01 -0.973237D+00  0.114089D+01  0.259511D+01 -0.236511D+01
               141           142           143           144           145 
      1  -0.317385D+01 -0.334700D+01 -0.909733D+00 -0.578684D+01  0.931597D+00
      2   0.197272D+01 -0.232151D+00  0.173257D+01  0.297287D+01 -0.859583D+00
      3  -0.208260D+00  0.261091D+01 -0.964215D+00  0.128051D+01  0.368149D+01
               146           147           148           149           150 
      1   0.174137D+01 -0.927465D+00  0.109730D+01  0.115613D+02 -0.778794D+01
      2  -0.377456D+00  0.657379D+00 -0.543224D+00  0.713943D+00 -0.130668D+01
      3   0.192305D+01 -0.919873D+00  0.521984D+01  0.132482D+02 -0.314615D+01
               151           152           153           154           155 
      1  -0.413954D+00 -0.574782D+01  0.595017D+01 -0.425097D+01  0.261486D+01
      2  -0.625623D+00 -0.127433D+01  0.162827D+01 -0.139068D+02  0.361180D+00
      3  -0.312058D+01 -0.741061D+01  0.266694D+01  0.125152D+02 -0.581360D+00
               156           157           158           159           160 
      1  -0.355016D+01  0.161144D+01 -0.876538D+00 -0.281048D+00 -0.300717D+01
      2  -0.380444D+01  0.262265D+01 -0.109343D+01  0.770767D+00 -0.698574D+01
      3   0.431634D+01  0.111033D+00  0.108754D+01 -0.676103D+00  0.410349D+01
               161           162           163           164           165 
      1   0.105426D+01 -0.333976D+01 -0.379793D+01 -0.238093D+00  0.470894D+01
      2  -0.549377D+00 -0.444788D+01 -0.882392D-01  0.188314D+01  0.388298D+01
      3  -0.787295D+00  0.351901D+01 -0.395384D+01 -0.302485D+01  0.160174D+01
               166           167           168           169           170 
      1   0.688152D+00  0.322309D+00 -0.242330D+01  0.379062D+01 -0.587217D+00
      2  -0.513713D+00 -0.414934D+00 -0.641747D+00 -0.180114D+01 -0.215125D+01
      3   0.944837D+00  0.144939D+01 -0.401291D+00  0.421955D+01  0.870987D+00
               171           172           173           174           175 
      1  -0.707117D+01 -0.336613D+01  0.862462D+00  0.257410D+01  0.134827D+01
      2  -0.595394D+01 -0.122847D+02  0.417154D+01  0.104410D+02  0.360976D+01
      3  -0.902450D+00 -0.156777D+00 -0.582904D+01 -0.100073D+01 -0.358239D+01
               176           177           178           179           180 
      1  -0.456577D+00 -0.157270D+01  0.293805D+01  0.222127D+00 -0.275483D+01
      2  -0.157809D+01 -0.349419D+01  0.102609D+02 -0.397273D+01 -0.114523D+02
      3   0.341934D+01 -0.454124D-01 -0.788262D+00  0.337397D+01  0.126409D+01
               181           182           183           184           185 
      1   0.180458D+01  0.181041D+01  0.112696D+01  0.190675D+01  0.529878D+01
      2   0.187196D+01  0.222370D+01  0.465743D+01  0.285956D+01  0.638619D+01
      3  -0.613552D+01 -0.561256D+01 -0.422910D+01 -0.544051D+01 -0.145896D+02
               186           187           188           189           190 
      1   0.146158D+01  0.200632D+01  0.407839D+01  0.208310D+01 -0.299528D+00
      2   0.719131D+01  0.386761D+01  0.398481D+01  0.869202D+01  0.106288D+01
      3  -0.850724D+01 -0.437027D+01 -0.889049D+01 -0.588287D+01  0.272302D+01
               191           192           193           194           195 
      1   0.259554D-01 -0.128919D+00 -0.109036D+00 -0.170066D+01 -0.258334D+01
      2   0.152918D+01 -0.102307D+00 -0.105054D+00  0.102077D+02 -0.982191D+01
      3   0.714732D+00 -0.125288D+01 -0.122003D+01  0.171659D+02 -0.105561D+02
               196           197           198           199           200 
      1   0.831631D+00  0.163862D+01  0.238093D+01  0.237818D-01 -0.137527D+01
      2   0.179816D+01 -0.884750D+01  0.113922D+02 -0.343094D+00  0.142246D+01
      3   0.301808D+00 -0.115676D+02  0.849250D+01  0.331110D+00 -0.208767D+00
               201           202           203           204           205 
      1  -0.428859D+00 -0.245968D+01 -0.586301D+01 -0.147063D+01 -0.514568D+01
      2  -0.505602D+00  0.242905D+01  0.101676D+01  0.655342D+00 -0.294510D+01
      3   0.253965D+00  0.290921D+01 -0.207090D+01 -0.112774D+00 -0.157382D+01
               206           207           208           209           210 
      1   0.244684D+01 -0.115741D+01  0.127885D+01 -0.333070D-01 -0.592173D-01
      2   0.671154D-01  0.410173D+00  0.218246D+01 -0.449516D+00  0.419752D+00
      3   0.658866D+00 -0.919085D+00  0.207562D+01  0.993148D+00 -0.436635D+00
               211           212           213           214           215 
      1  -0.750052D+00  0.710593D+00 -0.359980D+01 -0.203780D+01  0.285095D+00
      2  -0.317292D+00  0.349483D+01 -0.249081D+01 -0.343217D+01 -0.214948D+01
      3   0.610099D+01  0.126282D+02 -0.323284D+01 -0.152140D+01 -0.387472D+01
               216           217           218           219           220 
      1   0.550710D+00  0.536313D-02 -0.133322D+00  0.127167D+01 -0.106468D+01
      2   0.958293D+00 -0.144651D+01  0.641949D+00 -0.176663D+01  0.147929D+01
      3   0.201006D+01 -0.652732D+00  0.247062D+01 -0.172605D+01  0.684177D+00
               221           222           223           224           225 
      1   0.910845D+00 -0.186705D+01 -0.165738D+01 -0.172428D+01  0.119424D+02
      2  -0.298816D+01  0.316005D+01  0.340498D+00  0.669462D+01 -0.239741D+02
      3  -0.418876D+01  0.301156D+01 -0.247223D+00  0.561279D+01 -0.700553D+01
               226           227           228           229           230 
      1  -0.225500D+01 -0.713381D+00 -0.226652D+01 -0.682818D+00 -0.712017D+00
      2   0.600159D+01  0.174666D+01  0.675218D+01  0.130548D+01  0.155493D+01
      3   0.389731D+01 -0.522547D+01  0.534916D+00  0.270938D+00 -0.127826D+01
               231           232           233           234           235 
      1  -0.128699D+01 -0.114953D+01  0.216306D-01 -0.391715D+00 -0.673934D+00
      2   0.133458D+01  0.309253D+01  0.168893D+01  0.115526D+01  0.296042D+01
      3  -0.105187D+01  0.477421D+00 -0.215788D+01 -0.805412D+00 -0.634886D+01
               236           237           238           239           240 
      1   0.323205D+01  0.252662D+01  0.180174D+01 -0.487092D+01 -0.411010D+01
      2  -0.227583D+01 -0.246508D+01 -0.102755D+01  0.489610D+01  0.448538D+01
      3   0.116581D+02  0.395510D+01  0.735091D+01 -0.192066D+02 -0.590495D+01
               241           242           243 
      1   0.226156D+00 -0.355116D+01 -0.298502D+01
      2  -0.157035D+01  0.609268D+01  0.352960D+01
      3   0.321759D+01 -0.943464D+01 -0.755028D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128360D+02 -0.236595D+01  0.700983D+01 -0.438640D+01  0.575680D+00
      2   0.574382D+01 -0.471048D+01 -0.144944D+01 -0.231027D+01 -0.161703D+02
      3  -0.185798D+02  0.707643D+01 -0.556040D+01  0.669667D+01  0.155946D+02
      4  -0.160870D+01 -0.248222D+01 -0.194529D+02 -0.228372D+01  0.109561D+02
      5   0.133609D+02 -0.112295D+02 -0.157382D+02 -0.958218D+01 -0.790536D+01
      6  -0.136574D+02  0.117104D+02  0.996375D+01  0.676231D+01  0.129690D+02
                 6             7             8             9            10 
      1  -0.161802D+02  0.643486D+01 -0.181503D+02 -0.162383D+01 -0.143346D+02
      2   0.210393D+02 -0.160665D+01  0.267171D+02  0.239018D+01  0.579522D+01
      3  -0.485916D+01 -0.482821D+01 -0.856677D+01 -0.766352D+00  0.853941D+01
      4  -0.313033D+01 -0.220583D+02 -0.181019D+00  0.119007D+02  0.246095D+01
      5   0.788157D+01 -0.177075D+02  0.122290D+02  0.119438D+02 -0.236443D+02
      6   0.105774D+01  0.112715D+02 -0.278174D+01 -0.667971D+01  0.791565D+01
                11            12            13            14            15 
      1   0.352069D+01 -0.172904D+02  0.881358D+01  0.974898D+01  0.123225D+02
      2  -0.154063D+01  0.432168D+01 -0.426901D+01  0.909201D+00 -0.631465D+01
      3  -0.198006D+01  0.129688D+02 -0.454457D+01 -0.106582D+02 -0.600790D+01
      4   0.662988D+01  0.118253D+02  0.807971D+01 -0.210233D+02  0.122738D+02
      5   0.942616D+01  0.274265D+01  0.100173D+02  0.169304D+02 -0.617795D+01
      6  -0.786528D+01 -0.252043D+01  0.456792D+00  0.890346D+00 -0.656648D+01
                16            17            18            19            20 
      1  -0.186240D+02  0.151343D+02 -0.154357D+01  0.273304D+02  0.356459D+01
      2   0.158814D+01 -0.134412D+02 -0.368732D+01 -0.890906D+01 -0.545969D+01
      3   0.170359D+02 -0.169309D+01  0.523089D+01 -0.184213D+02  0.189510D+01
      4   0.146946D+02  0.935072D+01 -0.673974D+01 -0.207985D+00 -0.374833D+01
      5   0.122411D+02 -0.828618D+01  0.301984D+00  0.181961D+01 -0.102215D+01
      6  -0.637651D+01 -0.128562D+01  0.185602D+01 -0.357422D+01  0.233385D+01
                21            22            23            24            25 
      1   0.548209D+01  0.301425D+01 -0.334996D+01 -0.711817D+01  0.219795D+02
      2   0.418851D+01 -0.368740D+01 -0.604800D+01 -0.188759D+00  0.605425D+01
      3  -0.967059D+01  0.673149D+00  0.939796D+01  0.730692D+01 -0.280337D+02
      4  -0.261614D+01 -0.753832D+01 -0.301706D+01  0.257388D+01 -0.943588D+01
      5  -0.338243D+01 -0.343990D+01  0.537652D+00  0.535076D+01 -0.134009D+02
      6   0.266356D+01 -0.288371D+00 -0.491038D+01  0.281252D+01  0.334934D+01
                26            27            28            29            30 
      1  -0.957439D+01  0.181464D+02 -0.103517D+03  0.937727D+01 -0.125710D+02
      2   0.511058D+01  0.849726D+01  0.408078D+02 -0.552085D+01  0.475957D+01
      3   0.446380D+01 -0.266437D+02  0.627094D+02 -0.385642D+01  0.781146D+01
      4   0.495017D+01  0.710030D+01  0.162433D+02 -0.105501D+02  0.109766D+01
      5   0.883202D+01 -0.159420D+02 -0.590532D+01 -0.654904D+00 -0.861562D+01
      6   0.503227D+00 -0.484324D+00  0.763095D+01  0.219384D+01  0.157893D+01
                31            32            33            34            35 
      1   0.400904D+02 -0.622222D+01  0.193535D+01 -0.422470D+02 -0.124037D+01
      2  -0.190645D+02  0.328435D+01 -0.130538D+00  0.105248D+02  0.358060D+01
      3  -0.210259D+02  0.293787D+01 -0.180481D+01  0.317222D+02 -0.234023D+01
      4  -0.118438D+02 -0.132584D+01  0.124117D+01  0.840222D+01 -0.282369D+01
      5   0.773628D+01  0.255095D+01  0.640662D+00 -0.973435D+01 -0.104201D+01
      6   0.155361D+01  0.902047D+01 -0.942317D+00  0.604435D+00  0.305551D+01
                36            37            38            39            40 
      1  -0.303571D+02  0.151980D+03 -0.222873D+02  0.310696D+02 -0.182722D+02
      2   0.193345D+00 -0.664484D+02  0.956241D+01 -0.114490D+02  0.412124D+01
      3   0.301637D+02 -0.855320D+02  0.127249D+02 -0.196206D+02  0.141510D+02
      4   0.334651D+01 -0.425411D+02  0.141114D+02 -0.629597D+01  0.155886D+02
      5  -0.140059D+02  0.261821D+02 -0.218424D+01  0.193560D+02  0.362879D+01
      6   0.481050D+01 -0.115760D+02 -0.903135D+00 -0.379051D+01 -0.160716D+01
                41            42            43            44            45 
      1   0.109508D+02 -0.840550D+01  0.403223D+02 -0.931717D+01  0.110434D+02
      2  -0.883327D+01  0.338157D+01 -0.181830D+02  0.806276D+01 -0.799672D+01
      3  -0.211750D+01  0.502393D+01 -0.221392D+02  0.125441D+01 -0.304665D+01
      4   0.897895D+01 -0.568602D+01 -0.574156D+01 -0.717322D+01 -0.455045D+01
      5  -0.774951D+01 -0.634991D+00  0.292101D+02 -0.504881D+01  0.761751D+01
      6   0.552102D+01  0.315922D+01 -0.966507D+01  0.595574D+01 -0.213942D-01
                46            47            48            49            50 
      1  -0.136233D+03  0.325977D+02 -0.275952D+02  0.464144D+02 -0.213552D+02
      2   0.629900D+02 -0.151238D+02  0.162086D+02 -0.289901D+02  0.492532D+01
      3   0.732427D+02 -0.174739D+02  0.113866D+02 -0.174243D+02  0.164298D+02
      4   0.595505D+02 -0.319928D+02  0.169956D+02 -0.322911D+02 -0.778813D+01
      5  -0.452944D+02  0.130437D+02 -0.265079D+02  0.245243D+02 -0.137792D+01
      6   0.171223D+02 -0.639862D+01  0.343756D+01  0.441692D+00  0.467842D+01
                51            52            53            54            55 
      1   0.150198D+02 -0.561224D+02  0.140357D+02 -0.182448D+02  0.150527D+03
      2  -0.128393D+02  0.277066D+02 -0.383348D+01  0.606244D+01 -0.739268D+02
      3  -0.218049D+01  0.284158D+02 -0.102022D+02  0.121824D+02 -0.766001D+02
      4  -0.102309D+01  0.310743D+02 -0.440891D+01  0.780105D+01 -0.604737D+02
      5   0.507776D+01 -0.153667D+02  0.557920D+01 -0.154274D+02  0.400093D+02
      6  -0.517264D+01  0.182091D+01  0.777041D+00  0.621605D+01 -0.893940D+01
                56            57            58            59            60 
      1  -0.361495D+02  0.286163D+02 -0.848529D+02  0.273187D+02 -0.144213D+02
      2   0.135187D+02 -0.181333D+02  0.349337D+02 -0.236630D+01  0.864148D+01
      3   0.226308D+02 -0.104829D+02  0.499192D+02 -0.249524D+02  0.577986D+01
      4   0.401436D+02 -0.134689D+02  0.635983D+02 -0.467652D+02  0.170879D+02
      5  -0.114745D+02  0.319747D+02 -0.253746D+02  0.144609D+02 -0.179204D+02
      6   0.447062D+01 -0.608858D+01  0.104678D+02 -0.677709D+01  0.116614D+02
                61            62            63            64            65 
      1   0.543612D+02 -0.719036D+01  0.257730D+02 -0.941770D+01  0.395702D+00
      2  -0.316576D+02  0.516705D+01 -0.217158D+02  0.332967D+01  0.234324D+01
      3  -0.227037D+02  0.202331D+01 -0.405717D+01  0.608803D+01 -0.273894D+01
      4  -0.216502D+02  0.139390D+02 -0.210210D+02  0.123057D+00 -0.756343D+01
      5   0.510054D+02 -0.195887D+02  0.371316D+02  0.325352D+02 -0.194369D+02
      6  -0.100027D+02  0.110526D+02 -0.970966D+01 -0.101296D+02  0.270910D+01
                66            67            68            69            70 
      1   0.273760D+02 -0.339134D+01 -0.480697D+01 -0.264388D+02  0.386102D+02
      2  -0.109912D+02  0.554526D+01  0.493830D+01  0.181424D+02 -0.151213D+02
      3  -0.163848D+02 -0.215392D+01 -0.131332D+00  0.829640D+01 -0.234890D+02
      4  -0.216502D+02 -0.143047D+02  0.549362D+01 -0.256888D+02 -0.235247D+02
      5  -0.702722D+01 -0.184881D+02 -0.280482D+02  0.379754D+01 -0.178126D+02
      6  -0.231935D+00 -0.161086D+01  0.973752D+01 -0.105966D+02  0.236395D+01
                71            72            73            74            75 
      1  -0.285943D+02 -0.981684D+01 -0.156965D+02 -0.120596D+02  0.193445D+02
      2   0.199508D+02  0.440149D+01  0.936880D+01  0.641228D+01  0.314912D+01
      3   0.864345D+01  0.541535D+01  0.632771D+01  0.564732D+01 -0.224937D+02
      4  -0.232790D+02  0.780092D+01 -0.208936D+02 -0.884276D+01  0.129187D+02
      5   0.675452D+01 -0.525704D+01  0.221088D+02  0.122742D+02 -0.234274D+01
      6  -0.113555D+02  0.245062D+01  0.104089D+02  0.877972D+01  0.270860D+01
                76            77            78            79            80 
      1  -0.125865D+02 -0.902857D+01  0.123219D+02  0.123218D+02  0.725096D+01
      2   0.936623D+01  0.287156D+01 -0.131217D+02  0.383092D+01 -0.666215D+01
      3   0.322032D+01  0.615702D+01  0.799815D+00 -0.161527D+02 -0.588810D+00
      4  -0.576282D+01  0.205920D+02 -0.864983D+01  0.805779D+01 -0.441050D+01
      5   0.143032D+02 -0.151329D+02 -0.599238D+01  0.170787D+01 -0.445746D+01
      6   0.144262D+01 -0.121277D+02  0.307820D+01  0.432188D+01 -0.682436D+00
                81            82            83            84            85 
      1   0.134310D+02  0.413578D+01 -0.111946D+02  0.463170D+01 -0.819172D+01
      2  -0.318995D+01 -0.658070D+01  0.171226D+02 -0.115219D+02  0.111106D+02
      3  -0.102410D+02  0.244492D+01 -0.592793D+01  0.689023D+01 -0.291890D+01
      4  -0.285434D+00 -0.463039D+01 -0.467965D+01 -0.111187D+02 -0.604141D-01
      5  -0.104460D+01 -0.584772D+01 -0.119291D+02 -0.104750D+02 -0.117239D+02
      6   0.284903D+01 -0.555551D+01 -0.131504D+02 -0.125127D+02 -0.891665D+01
                86            87            88            89            90 
      1   0.339991D+01 -0.337784D+01  0.894892D+01 -0.404787D+01 -0.121345D+02
      2  -0.706862D+00 -0.157744D+00 -0.168474D+02 -0.306840D+01  0.869229D+01
      3  -0.269305D+01  0.353558D+01  0.789851D+01  0.711627D+01  0.344217D+01
      4   0.632040D+01 -0.969268D+01 -0.117183D+02 -0.155938D+02 -0.749175D+01
      5  -0.445344D+01  0.124693D+01 -0.126978D+02 -0.198223D+01  0.277345D+01
      6  -0.162577D+01 -0.176796D+01 -0.131991D+02 -0.627444D+00  0.129394D+01
                91            92            93            94            95 
      1  -0.548738D+02 -0.269027D+02 -0.132737D+02 -0.118506D+02  0.193056D+02
      2   0.229592D+02  0.221150D+02  0.104646D+02  0.132818D+02 -0.775322D+01
      3   0.319146D+02  0.478775D+01  0.280909D+01 -0.143125D+01 -0.115524D+02
      4  -0.232559D+02  0.147261D+02 -0.520421D+01  0.191258D+02  0.114979D+02
      5  -0.117148D+02 -0.238552D+01  0.109100D+02 -0.306433D+01 -0.972244D+01
      6  -0.543482D+01  0.112665D+01  0.575966D+01 -0.106266D+01 -0.960937D+01
                96            97            98            99           100 
      1   0.289792D+01 -0.214038D+02  0.596251D+00  0.175761D+02  0.460390D+02
      2  -0.742273D+01  0.110547D+02 -0.109947D+02 -0.367703D+01 -0.241639D+02
      3   0.452480D+01  0.103491D+02  0.103984D+02 -0.138991D+02 -0.218751D+02
      4  -0.786806D+01 -0.767534D+01 -0.813712D+01 -0.975966D+01  0.326214D+02
      5  -0.563622D+01  0.417404D+01 -0.115110D+02  0.276399D+02 -0.320651D+02
      6  -0.751043D+00  0.190746D+01 -0.667537D+01  0.128642D+02 -0.127131D+02
               101           102           103           104           105 
      1   0.103765D+02 -0.135268D+02  0.854515D+01  0.577343D+01 -0.238568D+01
      2  -0.211091D+01  0.951802D+01 -0.134456D+01  0.213122D+01  0.156128D+01
      3  -0.826561D+01  0.400876D+01 -0.720059D+01 -0.790465D+01  0.824395D+00
      4   0.212482D+02 -0.136230D+02  0.171898D+02  0.123313D+02 -0.670934D+01
      5  -0.116219D+02  0.201623D+02 -0.854166D+01 -0.662441D+01  0.598622D+01
      6  -0.892568D+01  0.836109D+01 -0.714769D+01 -0.471101D+01  0.547806D+01
               106           107           108           109           110 
      1  -0.941576D+01 -0.216088D+01  0.388235D+01 -0.525337D+01  0.513112D+01
      2   0.685705D+01  0.241334D+01 -0.625986D+01 -0.140267D+01 -0.333481D+01
      3   0.255871D+01 -0.252462D+00  0.237751D+01  0.665604D+01 -0.179631D+01
      4  -0.867511D+01 -0.503991D+01  0.844715D+01 -0.379831D+00 -0.119655D+01
      5   0.157317D+02  0.684193D+01 -0.133684D+02 -0.431395D+00 -0.105086D+01
      6   0.643997D+01  0.481483D+01 -0.714891D+01 -0.416899D+01  0.334329D+01
               111           112           113           114           115 
      1  -0.144840D+02  0.175506D+01 -0.417644D+01  0.373870D+00 -0.100639D+02
      2  -0.254500D+01 -0.153492D+01  0.886062D+00 -0.125488D+01  0.102576D+01
      3   0.170290D+02 -0.220135D+00  0.329038D+01  0.881013D+00  0.903816D+01
      4  -0.266004D+01  0.136199D+01 -0.147930D+01 -0.925018D+00 -0.291619D+01
      5  -0.231549D+01 -0.137532D+01  0.481900D+00  0.609784D+00  0.240518D+01
      6  -0.738027D+01  0.156508D+01 -0.162277D+01  0.640541D+01 -0.193208D+01
               116           117           118           119           120 
      1   0.438484D+01 -0.244936D+02 -0.162301D+01  0.212568D+00 -0.150191D+01
      2  -0.120750D+01 -0.888750D+01 -0.606651D+01  0.383893D+00 -0.485257D+01
      3  -0.317734D+01  0.333811D+02  0.768952D+01 -0.596461D+00  0.635448D+01
      4  -0.384428D+01  0.139497D+01 -0.706081D+00  0.350573D+01 -0.527464D+00
      5   0.317700D+01 -0.138053D+02  0.785545D+01 -0.179410D+01  0.120368D+02
      6   0.730896D+01 -0.152933D+02 -0.525932D+00  0.922424D+00  0.117583D+00
               121           122           123           124           125 
      1   0.495239D+01 -0.481852D+01  0.362230D+01 -0.678982D+01  0.158923D+01
      2  -0.179344D+01  0.414397D-01  0.296317D+01 -0.664462D+01  0.334787D+01
      3  -0.315895D+01  0.477708D+01 -0.658546D+01  0.134344D+02 -0.493710D+01
      4   0.260243D+01 -0.101277D+01  0.307589D+01  0.917067D+00  0.293842D+01
      5  -0.235589D+01  0.369146D+01 -0.304481D+01  0.166579D+02 -0.338611D+01
      6   0.152394D+01 -0.133648D+01  0.687674D+01  0.591708D+00  0.550691D+01
               126           127           128           129           130 
      1  -0.261429D+02 -0.821115D+01  0.163503D+02  0.269191D+00  0.878731D+01
      2  -0.200603D+02  0.112303D+02 -0.232427D+02  0.813232D+00 -0.124496D+02
      3   0.462032D+02 -0.301912D+01  0.689241D+01 -0.108242D+01  0.366233D+01
      4  -0.193717D+01 -0.589639D+01  0.375249D+01  0.185843D+01  0.649592D+01
      5   0.238877D+02 -0.240023D+00  0.144536D+01  0.126799D+01  0.177344D+01
      6  -0.413482D+00  0.821283D+00  0.576179D+00 -0.256806D+01  0.915110D+00
               131           132           133           134           135 
      1  -0.240036D+02 -0.367417D+00 -0.217043D+01  0.362837D+01 -0.343788D+01
      2   0.360853D+02  0.501539D+00  0.305831D+01 -0.462233D+01  0.343723D+01
      3  -0.120817D+02 -0.134122D+00 -0.887880D+00  0.993957D+00  0.642050D-03
      4  -0.105259D+00  0.122397D+01  0.584779D+00  0.813620D+00  0.575801D+00
      5   0.313171D+00  0.795182D+00  0.254944D+01  0.114583D+01 -0.713225D+00
      6   0.701288D+00  0.598017D+01 -0.497244D+00  0.643270D+01 -0.176296D+01
               136           137           138           139           140 
      1   0.852126D+01  0.249454D+00  0.132464D+01  0.158635D+01 -0.604122D+01
      2   0.161875D+01  0.712366D+01  0.221770D+01  0.414458D+01  0.147871D+02
      3  -0.101400D+02 -0.737312D+01 -0.354234D+01 -0.573093D+01 -0.874583D+01
      4   0.207245D+02  0.195525D+02  0.114929D+02  0.147844D+02  0.179715D+02
      5   0.125224D+02  0.942373D+01  0.125000D+02  0.675015D+01  0.930828D+01
      6   0.980693D+01  0.104182D+02  0.111172D+02  0.754541D+01  0.127778D+02
               141           142           143           144           145 
      1  -0.326869D+01  0.746914D+00 -0.539889D+01 -0.316848D+01 -0.301440D+01
      2   0.656489D+01  0.242536D+01  0.893781D+01  0.141763D+01  0.402441D+01
      3  -0.329620D+01 -0.317227D+01 -0.353892D+01  0.175086D+01 -0.101001D+01
      4   0.103531D+02  0.126098D+02  0.142812D+02  0.129198D+02 -0.103216D+01
      5   0.735607D+01  0.117284D+02  0.100581D+02  0.140001D+02  0.215582D+00
      6   0.101666D+02  0.106373D+02  0.138830D+02  0.158056D+02 -0.541090D-01
               146           147           148           149           150 
      1  -0.499572D+01  0.873938D+00 -0.361846D+01 -0.234408D+02  0.404861D+01
      2   0.625442D+01 -0.149050D+01  0.327622D+01  0.454817D+02 -0.111579D+02
      3  -0.125870D+01  0.616562D+00  0.342244D+00 -0.220409D+02  0.710932D+01
      4   0.519744D+01  0.371856D+00  0.659500D+01 -0.184817D+02  0.312438D+01
      5   0.171809D+01  0.225147D+01  0.160677D+01  0.515411D+01 -0.477121D+01
      6  -0.102027D+01  0.210281D-01 -0.104152D+01 -0.146959D+01  0.796850D+01
               151           152           153           154           155 
      1   0.256737D+01  0.112649D+02 -0.387468D+01 -0.935649D+01 -0.513181D+01
      2  -0.158898D+01 -0.211763D+02  0.724554D+01 -0.212491D+01  0.590745D+01
      3  -0.978394D+00  0.991141D+01 -0.337086D+01  0.114814D+02 -0.775640D+00
      4  -0.219925D+01  0.928486D+01 -0.460289D+01  0.130118D+02 -0.424872D+00
      5   0.199884D+01 -0.517461D+01  0.353180D+01  0.619147D+01  0.422719D+00
      6  -0.557063D+00  0.675098D+01 -0.698156D+01  0.476339D+01  0.401571D+01
               156           157           158           159           160 
      1  -0.108841D+02  0.325240D+00 -0.179112D+01  0.327867D+01 -0.843184D+01
      2  -0.803306D+00  0.216592D+01  0.187271D+01 -0.490202D+00 -0.704985D+00
      3   0.116874D+02 -0.249116D+01 -0.815979D-01 -0.278847D+01  0.913682D+01
      4   0.600407D+01 -0.239145D+00  0.158021D+01  0.465784D+00  0.764772D+01
      5   0.335041D+01  0.285309D+00  0.186213D+01  0.473394D+00  0.548646D+01
      6   0.593135D+01  0.193865D+01 -0.158775D+01  0.121303D+01  0.299083D+01
               161           162           163           164           165 
      1  -0.262068D-01 -0.951215D+01  0.107023D+02  0.840682D+00 -0.168458D+01
      2  -0.528807D+00 -0.256973D+01 -0.102815D+02 -0.212006D+01  0.719509D+01
      3   0.555014D+00  0.120819D+02 -0.420780D+00  0.127938D+01 -0.551051D+01
      4   0.180630D+00  0.250356D+01 -0.173892D+02  0.147480D+02  0.142727D+02
      5  -0.159998D+01 -0.230782D-01 -0.223908D+02  0.113376D+02  0.218422D+02
      6   0.393469D+01  0.632324D+01  0.119225D+02 -0.112362D+02 -0.133676D+02
               166           167           168           169           170 
      1   0.668744D+00 -0.284798D+01 -0.171286D+01 -0.400002D+01 -0.329767D+01
      2  -0.169673D+01  0.532174D+01  0.593899D+00  0.807962D+01 -0.380533D+00
      3   0.102799D+01 -0.247376D+01  0.111896D+01 -0.407959D+01  0.367821D+01
      4   0.901169D+01 -0.992255D+01 -0.729962D+01  0.146332D+02 -0.111913D+02
      5   0.535538D+01 -0.686210D+01 -0.589986D+01  0.211435D+02 -0.123473D+02
      6  -0.701806D+01  0.727513D+01  0.920966D+01 -0.121430D+02  0.137507D+02
               171           172           173           174           175 
      1  -0.603780D+01  0.645639D+02 -0.128182D+02 -0.191085D+02 -0.124420D+02
      2  -0.950392D+01 -0.304961D+02  0.347674D+01  0.843721D+01  0.279097D+01
      3   0.155417D+02 -0.340678D+02  0.934151D+01  0.106713D+02  0.965103D+01
      4  -0.147812D+02 -0.217788D+02  0.145572D+02  0.805181D+01  0.175404D+02
      5  -0.266029D+02 -0.196885D+02  0.615888D+01  0.161369D+02  0.541924D+01
      6   0.202528D+02  0.450764D+01 -0.132307D+01 -0.320557D+01 -0.150012D+01
               176           177           178           179           180 
      1   0.890773D+01  0.539528D+01 -0.419010D+02  0.102336D+02  0.148622D+02
      2  -0.208775D+01 -0.177061D+01  0.199457D+02 -0.347433D+01 -0.868318D+01
      3  -0.681998D+01 -0.362466D+01  0.219553D+02 -0.675928D+01 -0.617900D+01
      4  -0.110968D+02 -0.311179D+01  0.166187D+02 -0.100634D+02 -0.780406D+01
      5  -0.221385D+01 -0.485665D+01  0.223935D+02 -0.700263D+01 -0.201154D+02
      6   0.714545D+00  0.403514D+01 -0.457527D+01  0.425312D+01  0.475741D+01
               181           182           183           184           185 
      1   0.202864D+02  0.100012D+02  0.733670D+01  0.230945D+02  0.797617D+01
      2  -0.126112D+02 -0.680924D+01 -0.661602D+01 -0.146518D+02 -0.542687D+01
      3  -0.767515D+01 -0.319199D+01 -0.720684D+00 -0.844268D+01 -0.254930D+01
      4   0.970911D+01  0.951789D+01  0.751084D+01  0.134514D+02  0.226728D+02
      5   0.104123D+02  0.876648D+01  0.119398D+02  0.155569D+02  0.142915D+02
      6   0.293320D+01  0.143145D+01  0.104484D+01  0.228311D+01  0.500571D+01
               186           187           188           189           190 
      1   0.101935D+02  0.109521D+02  0.704157D+01  0.882592D+01  0.577581D+00
      2  -0.102761D+02 -0.992285D+01 -0.766571D+01 -0.116544D+02  0.332240D+00
      3   0.826407D-01 -0.102926D+01  0.624147D+00  0.282845D+01 -0.909821D+00
      4   0.137160D+02  0.838806D+01  0.132647D+02  0.851052D+01 -0.335458D+01
      5   0.161754D+02  0.178060D+02  0.991776D+01  0.209712D+02 -0.303221D-01
      6   0.469687D+01  0.110537D+01  0.556838D+01  0.239132D+01 -0.180663D+01
               191           192           193           194           195 
      1  -0.652508D+01  0.260457D+01 -0.100492D+02 -0.818741D+01  0.746585D+01
      2   0.402927D+01 -0.922030D+00  0.322398D+01  0.134281D+02 -0.478863D+01
      3   0.249580D+01 -0.168254D+01  0.682526D+01 -0.524072D+01 -0.267722D+01
      4   0.225335D+01  0.297338D+00  0.147580D+02 -0.321785D+02  0.194951D+02
      5  -0.268882D-01  0.184056D+01 -0.706843D+01  0.191957D+02 -0.177173D+02
      6  -0.127602D+01  0.100135D+01  0.438519D+01 -0.172080D+02  0.145540D+02
               196           197           198           199           200 
      1   0.424328D+01  0.813273D+01 -0.480295D+01 -0.790902D+00  0.171196D+01
      2  -0.281915D+01 -0.551475D+01 -0.152587D+01 -0.469227D+00  0.731613D-02
      3  -0.142413D+01 -0.261798D+01  0.632882D+01  0.126013D+01 -0.171928D+01
      4  -0.600003D+01  0.201543D+02 -0.159122D+02  0.333217D+01  0.500204D+01
      5   0.114762D+02 -0.160306D+02  0.219222D+02 -0.136574D+01 -0.214194D+01
      6  -0.370407D+01  0.142165D+02 -0.142230D+02 -0.225656D+01 -0.970039D+00
               201           202           203           204           205 
      1  -0.133196D+01  0.250711D+01 -0.119023D+02  0.659930D+01 -0.112150D+01
      2   0.512815D+00 -0.218469D+00  0.106240D+02 -0.193120D+01  0.358191D+01
      3   0.819141D+00 -0.228864D+01  0.127836D+01 -0.466810D+01 -0.246041D+01
      4  -0.115192D+01  0.489347D+01  0.831177D+01 -0.344828D+01 -0.722786D+00
      5   0.162064D+01 -0.268209D+01 -0.492175D+01  0.321921D+01  0.190116D+01
      6   0.593728D+00 -0.108269D+01 -0.111414D+02  0.696273D+01  0.195135D+01
               206           207           208           209           210 
      1   0.517177D+01 -0.208809D+01 -0.111577D+01 -0.197350D+01  0.712959D+00
      2  -0.245134D+01  0.784285D+00  0.266221D+01  0.131624D+01 -0.365470D+00
      3  -0.272043D+01  0.130380D+01 -0.154644D+01  0.657268D+00 -0.347489D+00
      4  -0.174442D+01  0.815097D+00 -0.185742D+01  0.444252D+01 -0.130321D+01
      5   0.217565D+01 -0.819321D+00  0.919973D+00 -0.713481D+00  0.666936D+00
      6   0.517959D+01 -0.427245D+01 -0.118329D+01  0.964059D+00 -0.133235D+00
               211           212           213           214           215 
      1  -0.501430D+01 -0.187964D+02  0.440034D+01  0.277784D+01  0.581471D+01
      2   0.273722D+01  0.239637D+02 -0.409506D+01 -0.283454D+00 -0.612399D+01
      3   0.227709D+01 -0.516736D+01 -0.305278D+00 -0.249439D+01  0.309283D+00
      4   0.281166D+01 -0.168220D+02  0.382929D+01 -0.223296D+01  0.598693D+01
      5  -0.939863D+00  0.310051D+01 -0.263976D+01 -0.670339D+00 -0.238986D+01
      6   0.724244D+00 -0.346374D+01  0.496989D+01  0.144984D+01  0.401772D+01
               216           217           218           219           220 
      1  -0.459121D+01  0.500044D+01  0.507640D+01 -0.606939D+01  0.370398D+01
      2   0.350376D+01 -0.421818D+01 -0.417573D+01  0.197007D+01 -0.200160D+01
      3   0.108746D+01 -0.782251D+00 -0.900668D+00  0.409932D+01 -0.170238D+01
      4  -0.298649D+01  0.178450D+01 -0.316872D+01 -0.928225D+00  0.186051D+01
      5   0.213516D+01 -0.333116D+01  0.507532D+00  0.214048D+00 -0.409181D-01
      6  -0.327377D+01 -0.197321D+01  0.959968D+00 -0.206429D+01 -0.971888D+00
               221           222           223           224           225 
      1  -0.686347D+01  0.372028D+01 -0.911270D+01  0.360549D+01 -0.160724D+02
      2   0.480282D+01 -0.292493D+01  0.543320D+01 -0.169104D+01 -0.750903D+01
      3   0.206066D+01 -0.795354D+00  0.367949D+01 -0.191445D+01  0.235814D+02
      4   0.594508D+01 -0.552511D+01 -0.940473D+01 -0.140189D+02  0.119750D+02
      5  -0.581981D+01  0.613184D+01  0.105763D+02  0.137257D+02 -0.456030D+02
      6  -0.409785D+01  0.811618D+01  0.358056D+01  0.115610D+02 -0.221518D+02
               226           227           228           229           230 
      1   0.846477D+02  0.196438D+02  0.538525D+01  0.887921D+01  0.821079D+01
      2  -0.381753D+02 -0.522969D+01 -0.204744D+01 -0.497562D+00 -0.563505D+00
      3  -0.464723D+02 -0.144142D+02 -0.333781D+01 -0.838165D+01 -0.764729D+01
      4   0.413507D+02  0.222907D+02  0.300001D+01  0.152688D+02  0.980043D+01
      5   0.105265D+01  0.624222D+00  0.122414D+02  0.522999D+00  0.185152D+01
      6   0.253909D+01  0.347401D+00  0.419086D+01 -0.202434D+00  0.112831D+01
               231           232           233           234           235 
      1   0.207814D+00  0.128211D+02  0.265030D+01  0.735754D+01 -0.614910D+01
      2   0.107142D+01 -0.597130D+01  0.461234D+00 -0.459221D+01  0.623148D+01
      3  -0.127923D+01 -0.684981D+01 -0.311153D+01 -0.276533D+01 -0.823749D-01
      4   0.235749D+01  0.712422D+01  0.544308D+01  0.582433D+01 -0.112978D+01
      5   0.202710D+01  0.111659D+02  0.431896D+01  0.210500D+01  0.440690D+01
      6   0.185445D+01  0.384595D+01  0.267371D+01  0.704145D+00  0.317699D+01
               236           237           238           239           240 
      1   0.150559D+02  0.747517D+01  0.156671D+02 -0.225612D+02 -0.737507D+01
      2  -0.160454D+02 -0.566439D+01 -0.104859D+02  0.296526D+02  0.890051D+01
      3   0.989538D+00 -0.181078D+01 -0.518119D+01 -0.709140D+01 -0.152544D+01
      4  -0.999140D+01  0.176196D+00  0.247713D+01  0.223427D+02  0.558327D+01
      5  -0.161023D+01 -0.494454D+01 -0.280276D+01  0.710152D+01  0.852209D+01
      6  -0.323415D+01 -0.462786D+01 -0.191242D+01  0.714166D+01  0.724631D+01
               241           242           243 
      1   0.922133D+01 -0.878454D+01 -0.107589D+02
      2  -0.491029D+01  0.118391D+02  0.708359D+01
      3  -0.431104D+01 -0.305455D+01  0.367534D+01
      4   0.320274D+01  0.113220D+02  0.695632D+01
      5  -0.797685D+00  0.886828D+01  0.440930D+01
      6  -0.180390D+01  0.924947D+01  0.571389D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:40:55 2021, MaxMem=  5368709120 cpu:           23830.6 elap:            2981.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24777 -10.38840 -10.32708 -10.32107 -10.31471
 Alpha  occ. eigenvalues --  -10.30462 -10.30115 -10.30081 -10.29682 -10.29477
 Alpha  occ. eigenvalues --  -10.29239  -1.12923  -0.97071  -0.89818  -0.84771
 Alpha  occ. eigenvalues --   -0.82887  -0.78808  -0.77888  -0.71472  -0.68768
 Alpha  occ. eigenvalues --   -0.62807  -0.61027  -0.58094  -0.56873  -0.56438
 Alpha  occ. eigenvalues --   -0.53611  -0.53329  -0.52817  -0.50975  -0.49669
 Alpha  occ. eigenvalues --   -0.48471  -0.48309  -0.46720  -0.45907  -0.45149
 Alpha  occ. eigenvalues --   -0.44436  -0.42215  -0.40866  -0.40195  -0.38332
 Alpha  occ. eigenvalues --   -0.34528  -0.33540
 Alpha virt. eigenvalues --    0.01127   0.07496   0.09468   0.09972   0.10222
 Alpha virt. eigenvalues --    0.12246   0.12670   0.12939   0.13240   0.13921
 Alpha virt. eigenvalues --    0.14977   0.15695   0.15987   0.16483   0.17214
 Alpha virt. eigenvalues --    0.17962   0.18361   0.18712   0.19199   0.19809
 Alpha virt. eigenvalues --    0.20311   0.21526   0.22005   0.22602   0.22871
 Alpha virt. eigenvalues --    0.23855   0.24067   0.24778   0.25338   0.25659
 Alpha virt. eigenvalues --    0.26571   0.26891   0.27755   0.28388   0.28582
 Alpha virt. eigenvalues --    0.29829   0.30260   0.30841   0.31918   0.32068
 Alpha virt. eigenvalues --    0.32676   0.33158   0.34807   0.35249   0.35994
 Alpha virt. eigenvalues --    0.36464   0.37022   0.37360   0.37589   0.37979
 Alpha virt. eigenvalues --    0.38754   0.39173   0.39342   0.39911   0.40063
 Alpha virt. eigenvalues --    0.40583   0.40849   0.41463   0.41834   0.42197
 Alpha virt. eigenvalues --    0.42896   0.43365   0.43701   0.43948   0.44441
 Alpha virt. eigenvalues --    0.44662   0.45043   0.45683   0.46164   0.46303
 Alpha virt. eigenvalues --    0.46997   0.47524   0.47871   0.48210   0.48618
 Alpha virt. eigenvalues --    0.48938   0.49359   0.49430   0.50137   0.50798
 Alpha virt. eigenvalues --    0.51390   0.51715   0.52832   0.53236   0.53343
 Alpha virt. eigenvalues --    0.54050   0.54509   0.55034   0.55288   0.55624
 Alpha virt. eigenvalues --    0.55729   0.56685   0.57231   0.57587   0.58073
 Alpha virt. eigenvalues --    0.58446   0.59165   0.59728   0.60101   0.60546
 Alpha virt. eigenvalues --    0.61265   0.61461   0.62661   0.62804   0.63264
 Alpha virt. eigenvalues --    0.63317   0.64083   0.64357   0.65114   0.65758
 Alpha virt. eigenvalues --    0.66513   0.66986   0.67035   0.67789   0.68166
 Alpha virt. eigenvalues --    0.69036   0.69152   0.70782   0.71630   0.72113
 Alpha virt. eigenvalues --    0.72275   0.73340   0.74286   0.74646   0.75304
 Alpha virt. eigenvalues --    0.76114   0.76493   0.77323   0.78402   0.79104
 Alpha virt. eigenvalues --    0.79799   0.81108   0.81965   0.82291   0.83382
 Alpha virt. eigenvalues --    0.83942   0.84993   0.86139   0.86222   0.86772
 Alpha virt. eigenvalues --    0.87986   0.89262   0.89826   0.90286   0.92505
 Alpha virt. eigenvalues --    0.96546   0.97479   1.00332   1.01135   1.02285
 Alpha virt. eigenvalues --    1.03430   1.04776   1.05743   1.06353   1.07095
 Alpha virt. eigenvalues --    1.07969   1.08396   1.09048   1.10306   1.10991
 Alpha virt. eigenvalues --    1.11492   1.12020   1.12948   1.13217   1.13330
 Alpha virt. eigenvalues --    1.14185   1.15535   1.16448   1.18092   1.19431
 Alpha virt. eigenvalues --    1.20675   1.24590   1.25059   1.26837   1.27207
 Alpha virt. eigenvalues --    1.27648   1.29326   1.31056   1.31676   1.34383
 Alpha virt. eigenvalues --    1.35549   1.37016   1.37702   1.38589   1.40125
 Alpha virt. eigenvalues --    1.41228   1.41637   1.43810   1.45256   1.46521
 Alpha virt. eigenvalues --    1.48313   1.49840   1.51812   1.52362   1.53758
 Alpha virt. eigenvalues --    1.56425   1.57479   1.60075   1.61925   1.62871
 Alpha virt. eigenvalues --    1.64703   1.66099   1.66902   1.68108   1.70650
 Alpha virt. eigenvalues --    1.72484   1.73628   1.75862   1.76865   1.77667
 Alpha virt. eigenvalues --    1.79704   1.81064   1.81690   1.82156   1.83558
 Alpha virt. eigenvalues --    1.85336   1.86482   1.87207   1.90050   1.92652
 Alpha virt. eigenvalues --    1.93719   1.94499   1.94764   1.95890   1.96750
 Alpha virt. eigenvalues --    1.97899   1.99061   2.00832   2.02022   2.03796
 Alpha virt. eigenvalues --    2.06111   2.07060   2.07535   2.09340   2.10788
 Alpha virt. eigenvalues --    2.12125   2.12518   2.13498   2.15709   2.16903
 Alpha virt. eigenvalues --    2.17896   2.18619   2.20029   2.22040   2.22336
 Alpha virt. eigenvalues --    2.25852   2.26068   2.27297   2.29394   2.30225
 Alpha virt. eigenvalues --    2.32484   2.32570   2.35146   2.35632   2.37251
 Alpha virt. eigenvalues --    2.38116   2.38900   2.40085   2.42844   2.43375
 Alpha virt. eigenvalues --    2.46228   2.47717   2.50181   2.51318   2.52851
 Alpha virt. eigenvalues --    2.55396   2.56984   2.57727   2.61041   2.63319
 Alpha virt. eigenvalues --    2.64574   2.64882   2.65653   2.65887   2.68546
 Alpha virt. eigenvalues --    2.70632   2.73825   2.75638   2.77561   2.80118
 Alpha virt. eigenvalues --    2.82040   2.82623   2.85330   2.87256   2.93749
 Alpha virt. eigenvalues --    2.95773   2.96410   3.00510   3.01627   3.05495
 Alpha virt. eigenvalues --    3.08094   3.09327   3.12967   3.13884   3.14796
 Alpha virt. eigenvalues --    3.16388   3.19146   3.21335   3.22658   3.23261
 Alpha virt. eigenvalues --    3.24937   3.26130   3.29350   3.30335   3.31579
 Alpha virt. eigenvalues --    3.41116   3.49376   3.57287   3.93280
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.581549  -0.977299  -0.075747  -0.007535   0.004661   0.000462
     2  C   -0.977299  11.309435  -0.779511   0.138936  -0.015951   0.012405
     3  C   -0.075747  -0.779511   7.226997  -0.463090  -0.043130   0.036227
     4  C   -0.007535   0.138936  -0.463090   8.283955  -0.492656   0.079191
     5  C    0.004661  -0.015951  -0.043130  -0.492656   8.683697  -0.760624
     6  C    0.000462   0.012405   0.036227   0.079191  -0.760624   6.067856
     7  O   -0.000402   0.002003  -0.004941   0.060175  -0.108947   0.344417
     8  C   -0.199771  -0.334503   0.089791  -0.022739   0.002603   0.000073
     9  C   -0.060685  -0.146557   0.138072  -0.057993   0.006182  -0.002682
    10  C    0.050692   0.203782  -0.272857   0.037015  -0.114946   0.010692
    11  C   -0.000990  -0.001624   0.016267  -0.046341   0.027736   0.510198
    12  H    0.124150  -0.171634   0.019344  -0.012289  -0.000048   0.000071
    13  H   -0.097243   0.012939   0.114687   0.049596  -0.020643   0.000872
    14  H    0.106069  -0.086352  -0.084822  -0.143709   0.035647  -0.000614
    15  H   -0.002147  -0.057464   0.091304  -0.157160   0.062151   0.000216
    16  H   -0.009419   0.140174   0.002710   0.049244   0.016742  -0.000345
    17  H    0.042679   0.217820   0.015589  -0.012613   0.002641  -0.001318
    18  H    0.407774  -0.066246  -0.097819   0.034667  -0.015749   0.002083
    19  H   -0.022647   0.237681   0.018831  -0.008264   0.001932   0.000516
    20  H    0.021038   0.204554   0.010519   0.005874   0.000337  -0.000018
    21  H    0.004079   0.251053  -0.007275  -0.003069   0.000707  -0.000010
    22  H    0.027396   0.083164  -0.001369  -0.010496   0.000280  -0.000030
    23  H   -0.023700  -0.035505  -0.321836  -0.694433  -0.581716  -0.083526
    24  H   -0.000941  -0.066719   0.027682  -0.610480  -0.006758  -0.314172
    25  H   -0.000654   0.000306   0.003760  -0.004795  -0.053325   0.101406
    26  H   -0.000033  -0.000013  -0.000265   0.028384   0.042974   0.115483
    27  H    0.000437  -0.001115   0.000257   0.005528  -0.033907   0.072422
               7          8          9         10         11         12
     1  C   -0.000402  -0.199771  -0.060685   0.050692  -0.000990   0.124150
     2  C    0.002003  -0.334503  -0.146557   0.203782  -0.001624  -0.171634
     3  C   -0.004941   0.089791   0.138072  -0.272857   0.016267   0.019344
     4  C    0.060175  -0.022739  -0.057993   0.037015  -0.046341  -0.012289
     5  C   -0.108947   0.002603   0.006182  -0.114946   0.027736  -0.000048
     6  C    0.344417   0.000073  -0.002682   0.010692   0.510198   0.000071
     7  O    8.170837  -0.000055  -0.000229   0.003082  -0.032572   0.000003
     8  C   -0.000055   4.977873  -0.046010   0.009098   0.000107  -0.105828
     9  C   -0.000229  -0.046010   4.936827   0.054285  -0.000147   0.196463
    10  C    0.003082   0.009098   0.054285   4.907180   0.000422   0.020285
    11  C   -0.032572   0.000107  -0.000147   0.000422   4.365781   0.000008
    12  H    0.000003  -0.105828   0.196463   0.020285   0.000008   1.673740
    13  H   -0.000142   0.057664   0.124499  -0.047658   0.000141  -0.433490
    14  H   -0.000468  -0.173004  -0.004063   0.006914  -0.001387   0.015123
    15  H    0.001621  -0.016999   0.052680   0.109449   0.000651   0.119319
    16  H   -0.000064   0.024546  -0.088856   0.220687  -0.000045  -0.182894
    17  H   -0.000080  -0.004813  -0.004703  -0.005990   0.000137  -0.001918
    18  H    0.000674   0.006338  -0.036501   0.026887  -0.003115   0.004987
    19  H   -0.000119   0.039599   0.028024  -0.011185   0.000209   0.007579
    20  H    0.000003  -0.030600   0.005131  -0.000637  -0.000000   0.035617
    21  H   -0.000001   0.271833  -0.027668  -0.005689   0.000002  -0.019858
    22  H    0.000001   0.059782   0.003895   0.000519   0.000013   0.004425
    23  H    0.009471  -0.001072   0.023568  -0.011031  -0.074504  -0.001124
    24  H   -0.028449   0.001118   0.044902  -0.059371   0.001196  -0.000277
    25  H    0.005200   0.000048  -0.000018   0.000056   0.229888   0.000000
    26  H   -0.023057   0.000001   0.000019  -0.000057   0.325766  -0.000000
    27  H    0.007603   0.000072  -0.000120   0.000139   0.226320   0.000003
              13         14         15         16         17         18
     1  C   -0.097243   0.106069  -0.002147  -0.009419   0.042679   0.407774
     2  C    0.012939  -0.086352  -0.057464   0.140174   0.217820  -0.066246
     3  C    0.114687  -0.084822   0.091304   0.002710   0.015589  -0.097819
     4  C    0.049596  -0.143709  -0.157160   0.049244  -0.012613   0.034667
     5  C   -0.020643   0.035647   0.062151   0.016742   0.002641  -0.015749
     6  C    0.000872  -0.000614   0.000216  -0.000345  -0.001318   0.002083
     7  O   -0.000142  -0.000468   0.001621  -0.000064  -0.000080   0.000674
     8  C    0.057664  -0.173004  -0.016999   0.024546  -0.004813   0.006338
     9  C    0.124499  -0.004063   0.052680  -0.088856  -0.004703  -0.036501
    10  C   -0.047658   0.006914   0.109449   0.220687  -0.005990   0.026887
    11  C    0.000141  -0.001387   0.000651  -0.000045   0.000137  -0.003115
    12  H   -0.433490   0.015123   0.119319  -0.182894  -0.001918   0.004987
    13  H    1.205727  -0.023398  -0.149469   0.093493  -0.001816   0.010885
    14  H   -0.023398   1.880882   0.106020  -0.164741   0.002003   0.005879
    15  H   -0.149469   0.106020   1.767784  -0.511078   0.000278   0.001155
    16  H    0.093493  -0.164741  -0.511078   1.364295  -0.000112   0.000049
    17  H   -0.001816   0.002003   0.000278  -0.000112   0.672856  -0.039455
    18  H    0.010885   0.005879   0.001155   0.000049  -0.039455   0.871834
    19  H   -0.017058  -0.005253  -0.000265  -0.000264  -0.049013  -0.130929
    20  H   -0.004372   0.002247   0.001865  -0.002996  -0.011743   0.006505
    21  H   -0.000442  -0.035845  -0.001263   0.009479  -0.003493  -0.001749
    22  H   -0.001138   0.025776   0.001207   0.000247   0.011783   0.000948
    23  H   -0.004149  -0.083841  -0.012778   0.004966   0.013043  -0.015194
    24  H   -0.014297  -0.005065   0.056820   0.001546   0.002180  -0.006139
    25  H    0.000017  -0.000383   0.000049  -0.000016   0.000122  -0.000423
    26  H   -0.000007   0.000037  -0.000017  -0.000000   0.000020  -0.000072
    27  H    0.000016   0.000009   0.000075  -0.000005  -0.000362  -0.000291
              19         20         21         22         23         24
     1  C   -0.022647   0.021038   0.004079   0.027396  -0.023700  -0.000941
     2  C    0.237681   0.204554   0.251053   0.083164  -0.035505  -0.066719
     3  C    0.018831   0.010519  -0.007275  -0.001369  -0.321836   0.027682
     4  C   -0.008264   0.005874  -0.003069  -0.010496  -0.694433  -0.610480
     5  C    0.001932   0.000337   0.000707   0.000280  -0.581716  -0.006758
     6  C    0.000516  -0.000018  -0.000010  -0.000030  -0.083526  -0.314172
     7  O   -0.000119   0.000003  -0.000001   0.000001   0.009471  -0.028449
     8  C    0.039599  -0.030600   0.271833   0.059782  -0.001072   0.001118
     9  C    0.028024   0.005131  -0.027668   0.003895   0.023568   0.044902
    10  C   -0.011185  -0.000637  -0.005689   0.000519  -0.011031  -0.059371
    11  C    0.000209  -0.000000   0.000002   0.000013  -0.074504   0.001196
    12  H    0.007579   0.035617  -0.019858   0.004425  -0.001124  -0.000277
    13  H   -0.017058  -0.004372  -0.000442  -0.001138  -0.004149  -0.014297
    14  H   -0.005253   0.002247  -0.035845   0.025776  -0.083841  -0.005065
    15  H   -0.000265   0.001865  -0.001263   0.001207  -0.012778   0.056820
    16  H   -0.000264  -0.002996   0.009479   0.000247   0.004966   0.001546
    17  H   -0.049013  -0.011743  -0.003493   0.011783   0.013043   0.002180
    18  H   -0.130929   0.006505  -0.001749   0.000948  -0.015194  -0.006139
    19  H    0.825009  -0.002772  -0.001199  -0.008663   0.000745   0.000752
    20  H   -0.002772   0.746783  -0.028157  -0.049310   0.001420   0.000039
    21  H   -0.001199  -0.028157   0.634136  -0.032731   0.000467   0.000193
    22  H   -0.008663  -0.049310  -0.032731   0.652922  -0.001831  -0.000026
    23  H    0.000745   0.001420   0.000467  -0.001831   2.428399   0.222723
    24  H    0.000752   0.000039   0.000193  -0.000026   0.222723   1.600602
    25  H    0.000040  -0.000000   0.000002   0.000002  -0.026275  -0.009654
    26  H    0.000000  -0.000000  -0.000000  -0.000000   0.017367   0.008192
    27  H    0.000127   0.000000   0.000002   0.000017  -0.021915  -0.008133
              25         26         27
     1  C   -0.000654  -0.000033   0.000437
     2  C    0.000306  -0.000013  -0.001115
     3  C    0.003760  -0.000265   0.000257
     4  C   -0.004795   0.028384   0.005528
     5  C   -0.053325   0.042974  -0.033907
     6  C    0.101406   0.115483   0.072422
     7  O    0.005200  -0.023057   0.007603
     8  C    0.000048   0.000001   0.000072
     9  C   -0.000018   0.000019  -0.000120
    10  C    0.000056  -0.000057   0.000139
    11  C    0.229888   0.325766   0.226320
    12  H    0.000000  -0.000000   0.000003
    13  H    0.000017  -0.000007   0.000016
    14  H   -0.000383   0.000037   0.000009
    15  H    0.000049  -0.000017   0.000075
    16  H   -0.000016  -0.000000  -0.000005
    17  H    0.000122   0.000020  -0.000362
    18  H   -0.000423  -0.000072  -0.000291
    19  H    0.000040   0.000000   0.000127
    20  H   -0.000000  -0.000000   0.000000
    21  H    0.000002  -0.000000   0.000002
    22  H    0.000002  -0.000000   0.000017
    23  H   -0.026275   0.017367  -0.021915
    24  H   -0.009654   0.008192  -0.008133
    25  H    0.518960  -0.041067   0.048438
    26  H   -0.041067   0.826496  -0.034572
    27  H    0.048438  -0.034572   0.482907
 Mulliken charges:
               1
     1  C    1.108228
     2  C   -4.073760
     3  C    0.340625
     4  C   -0.024906
     5  C   -0.639888
     6  C   -0.191252
     7  O   -0.405564
     8  C    1.394850
     9  C    0.861684
    10  C    0.868237
    11  C    0.455881
    12  H   -0.291758
    13  H    0.144783
    14  H   -0.373661
    15  H   -0.464003
    16  H    0.032657
    17  H    0.156275
    18  H    0.033017
    19  H    0.096588
    20  H    0.088669
    21  H   -0.003502
    22  H    0.233218
    23  H    0.272261
    24  H    0.162536
    25  H    0.228316
    26  H   -0.265577
    27  H    0.256047
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.394107
     2  C   -4.073760
     3  C   -0.033036
     4  C    0.247356
     5  C   -0.477351
     6  C   -0.191252
     7  O   -0.405564
     8  C    1.713234
     9  C    0.714709
    10  C    0.436891
    11  C    0.674667
 Electronic spatial extent (au):  <R**2>=           2374.2446
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5138    Y=              2.0497    Z=             -1.3964  Tot=              4.3009
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.0178   YY=            -68.5084   ZZ=            -69.1326
   XY=              8.0564   XZ=             -4.3437   YZ=              0.3375
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.1315   YY=              4.3778   ZZ=              3.7537
   XY=              8.0564   XZ=             -4.3437   YZ=              0.3375
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -53.0788  YYY=             -0.7834  ZZZ=              0.3599  XYY=              0.4545
  XXY=             28.2475  XXZ=            -16.8414  XZZ=             -0.0972  YZZ=              1.6778
  YYZ=             -1.5084  XYZ=              1.9502
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2595.9386 YYYY=           -558.0519 ZZZZ=           -286.1154 XXXY=            116.1743
 XXXZ=            -72.7892 YYYX=             -0.1359 YYYZ=             -3.5432 ZZZX=              4.5623
 ZZZY=             -3.6946 XXYY=           -498.7758 XXZZ=           -446.5766 YYZZ=           -141.5113
 XXYZ=             20.0674 YYXZ=              1.3418 ZZXY=              2.4501
 N-N= 6.147557599578D+02 E-N=-2.307265726703D+03  KE= 4.599835284119D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:40:56 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.35546403D+00 7.54876856D-01-5.22841286D-01
 Polarizability= 1.56096594D+02-4.54232330D+00 1.13939386D+02
                 6.47779059D+00-3.98160192D+00 9.80024603D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8174   -3.8215       -3.1130   -3.1118
 2      3.8174    3.8215        2.0642    2.0638      -23.0654  -23.0663
 3      3.1130    3.1118       30.7370   30.7326       -2.0637   -2.0638
 4     -2.0642   -2.0638        0.0000    0.0000        3.1134    3.1118
 5     -7.6715   -7.6663       -3.1134   -3.1118       -3.8216   -3.8215
 6      2.0637    2.0638        3.8216    3.8215       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       11.4646   11.4646       -9.3354   -9.3354
 2     -6.1914   -6.1914        0.0000    0.0000       -9.3354   -9.3354
 3     -6.1914   -6.1914       11.4646   11.4646        0.0000    0.0000
 4     11.4646   11.4646        6.1914    6.1914      -69.1990  -69.1990
 5      9.3354    9.3354       92.1979   92.1979       -6.1914   -6.1914
 6    -22.9989  -22.9989       -9.3354   -9.3354      -11.4646  -11.4646
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0393    0.0000       14.9343   15.2861       12.6916   12.4472
 2    -15.3710  -15.2861       -7.9442   -8.2552       92.2044   92.2653
 3    -12.4193  -12.4472     -123.0544 -122.9305        8.4743    8.2552
 4      8.2815    8.2552        0.2948    0.0000      -12.1482  -12.4472
 5     30.5777   30.6652       12.3062   12.4472       14.8774   15.2861
 6     -8.2715   -8.2552      -15.1731  -15.2861        0.0743    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4559    0.0000       -9.0431   -8.4624      -41.9092  -41.4696
 2      8.1122    8.4624       -8.5019   -8.3158       41.0051   41.0189
 3     40.6178   41.4696       19.4343   19.2446        9.6717    8.3158
 4      8.2508    8.3158        0.0210    0.0000       41.6782   41.4696
 5    -60.6619  -60.2635      -40.7955  -41.4696       -8.0654   -8.4624
 6     -8.4968   -8.3158        8.7830    8.4624        0.3441    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     24.9461   24.9321       18.5304   18.0742       31.2087   30.5015
 2     38.7871   38.5818       16.4774   16.5448       30.5727   30.5015
 3     38.6964   38.5818       18.1801   18.0742       55.0537   54.6615
 4      1.3295    1.5294      -13.8938  -13.6497       43.8156   43.5669
 5     23.6628   24.1600       43.0625   42.8497       14.3968   13.6497
 6    -86.7413  -86.4166      -23.8645  -24.1600       -1.7404   -1.5294
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0007    0.0002    0.0004    1.3636    4.2058    7.7124
 Low frequencies ---   34.4183   64.1305   77.5392
 Diagonal vibrational polarizability:
       20.7848993      12.8922940      65.1871880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.4020                64.1213                77.5359
 Red. masses --      4.0133                 2.8285                 3.4063
 Frc consts  --      0.0028                 0.0069                 0.0121
 IR Inten    --      3.3014                 0.3621                 0.7785
 RamAct Fr= 1--      1.6804                 0.4168                 0.6561
  Dep-P Fr= 1--      0.7405                 0.5510                 0.6564
  Dep-U Fr= 1--      0.8509                 0.7105                 0.7926
 Alpha2 Fr= 1--      0.0003                 0.0016                 0.0011
 Beta2  Fr= 1--      0.2383                 0.0494                 0.0867
 AlphaG Fr= 1--     -0.0017                -0.0046                -0.0083
 Gamma2 Fr= 1--      0.9026                -0.1247                 0.1589
 Delta2 Fr= 1--      0.4377                -0.0099                 0.1650
 Raman1 Fr= 1--       6.722                  1.667                  2.624
 ROA1   Fr= 1--     100.654                -12.290                 20.532
 CID1   Fr= 1--      14.975                 -7.372                  7.824
 Raman2 Fr= 1--       2.860                  0.592                  1.040
 ROA2   Fr= 1--      18.161                 -2.914                  2.492
 CID2   Fr= 1--       6.351                 -4.921                  2.396
 Raman3 Fr= 1--       5.719                  1.184                  2.080
 ROA3   Fr= 1--     100.654                -12.290                 20.532
 CID3   Fr= 1--      17.599                -10.376                  9.871
 RC180  Fr= 1--       0.702                  0.421                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.07     0.03   0.10  -0.12     0.22  -0.05  -0.03
     2   6     0.04  -0.02   0.03     0.04   0.01  -0.00     0.07  -0.00  -0.01
     3   6    -0.02   0.03  -0.07    -0.02   0.03  -0.08    -0.02  -0.11  -0.04
     4   6    -0.01   0.00  -0.10    -0.01   0.01  -0.08    -0.02  -0.12  -0.10
     5   6    -0.05   0.04   0.02    -0.04  -0.01  -0.05    -0.01  -0.07  -0.06
     6   6    -0.05   0.03   0.04    -0.04  -0.03   0.03    -0.05   0.03   0.01
     7   8    -0.12   0.10   0.26    -0.07  -0.06   0.02    -0.00   0.09   0.01
     8   6     0.01   0.03   0.12    -0.06  -0.13   0.11     0.08   0.14   0.03
     9   6     0.07  -0.06  -0.05     0.21   0.04   0.05    -0.04   0.01   0.01
    10   6    -0.01   0.01  -0.13     0.01   0.03  -0.05    -0.06  -0.07   0.03
    11   6     0.04  -0.08  -0.22    -0.02   0.00   0.14    -0.18   0.10   0.12
    12   1     0.08  -0.07  -0.01     0.27   0.02   0.26    -0.07   0.09  -0.02
    13   1     0.12  -0.12  -0.09     0.38   0.09  -0.08    -0.06  -0.02   0.03
    14   1    -0.07   0.10  -0.04    -0.05   0.05  -0.06    -0.07  -0.14  -0.04
    15   1    -0.01  -0.02  -0.22     0.00  -0.02  -0.20    -0.07  -0.07   0.07
    16   1    -0.06   0.06  -0.12    -0.12   0.09   0.04    -0.07  -0.09   0.06
    17   1     0.07  -0.04   0.12    -0.09   0.07  -0.19     0.30  -0.07  -0.03
    18   1     0.12  -0.11   0.01     0.08   0.20  -0.19     0.21  -0.16  -0.06
    19   1     0.13  -0.11   0.13     0.08   0.10  -0.08     0.27   0.03  -0.01
    20   1     0.05  -0.00   0.17    -0.00  -0.16   0.18     0.14   0.23   0.05
    21   1    -0.03   0.07   0.08    -0.06  -0.18   0.19    -0.03   0.17   0.05
    22   1    -0.02   0.07   0.16    -0.20  -0.15   0.06     0.16   0.12   0.02
    23   1     0.03  -0.04  -0.21     0.00   0.01  -0.07    -0.03  -0.13  -0.14
    24   1    -0.09   0.09   0.15    -0.06  -0.01  -0.07     0.03  -0.07  -0.03
    25   1     0.11  -0.29  -0.26    -0.00   0.09   0.15    -0.19   0.19   0.13
    26   1     0.04  -0.08  -0.19    -0.03  -0.02   0.18    -0.19   0.18   0.13
    27   1     0.05   0.05  -0.40    -0.03  -0.04   0.19    -0.24  -0.00   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    128.2250               147.9504               169.2586
 Red. masses --      1.0267                 3.5228                 3.0842
 Frc consts  --      0.0099                 0.0454                 0.0521
 IR Inten    --      0.0183                 1.4253                 2.5397
 RamAct Fr= 1--      0.0885                 0.4322                 0.4522
  Dep-P Fr= 1--      0.6691                 0.7394                 0.7491
  Dep-U Fr= 1--      0.8017                 0.8502                 0.8566
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0118                 0.0612                 0.0646
 AlphaG Fr= 1--     -0.0006                 0.0038                -0.0002
 Gamma2 Fr= 1--      0.0060                -0.4910                 0.8055
 Delta2 Fr= 1--      0.0247                -0.1087                 0.0751
 Raman1 Fr= 1--       0.354                  1.729                  1.809
 ROA1   Fr= 1--       1.368                -50.619                 79.734
 CID1   Fr= 1--       3.867                -29.279                 44.084
 Raman2 Fr= 1--       0.142                  0.735                  0.775
 ROA2   Fr= 1--      -0.052                -10.915                 18.732
 CID2   Fr= 1--      -0.369                -14.852                 24.183
 Raman3 Fr= 1--       0.284                  1.470                  1.549
 ROA3   Fr= 1--       1.368                -50.619                 79.734
 CID3   Fr= 1--       4.824                -34.439                 51.466
 RC180  Fr= 1--       0.603                  0.700                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.05  -0.01  -0.03     0.05  -0.07  -0.00
     2   6     0.00   0.00   0.00     0.02  -0.01  -0.02    -0.02  -0.03  -0.01
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.04    -0.03  -0.05  -0.02
     4   6    -0.00   0.00   0.01     0.00  -0.03  -0.00    -0.04   0.09  -0.16
     5   6     0.00  -0.00   0.00    -0.10   0.10   0.37    -0.06   0.17  -0.02
     6   6    -0.00   0.00   0.01    -0.03   0.02   0.08    -0.02   0.05  -0.01
     7   8     0.01  -0.01  -0.03     0.06  -0.04  -0.17    -0.13  -0.09  -0.03
     8   6    -0.00   0.00   0.00     0.01   0.00   0.01    -0.01   0.02   0.01
     9   6     0.00   0.00   0.00     0.04  -0.02  -0.03    -0.05  -0.02   0.02
    10   6    -0.00   0.00   0.00    -0.02  -0.00  -0.07     0.12  -0.04   0.13
    11   6    -0.01   0.00   0.01    -0.06   0.00  -0.01     0.17   0.02   0.08
    12   1     0.00   0.00   0.01     0.05  -0.01   0.01    -0.08  -0.05  -0.12
    13   1     0.00   0.00   0.00     0.08  -0.04  -0.06    -0.19   0.03   0.12
    14   1     0.00   0.00   0.00     0.02   0.03  -0.04    -0.14  -0.18  -0.01
    15   1    -0.00  -0.00  -0.00    -0.04  -0.04  -0.14     0.21   0.10   0.27
    16   1    -0.01   0.00   0.00    -0.07   0.05  -0.07     0.24  -0.24   0.13
    17   1     0.00   0.00  -0.00     0.05  -0.02  -0.04     0.07  -0.06   0.01
    18   1     0.00   0.00   0.00     0.05  -0.02  -0.04     0.05  -0.12  -0.03
    19   1     0.00   0.00   0.00     0.06   0.01  -0.02     0.08  -0.06   0.02
    20   1     0.00   0.00   0.00     0.03  -0.00   0.02     0.01   0.07   0.01
    21   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.06   0.03   0.02
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.01  -0.01
    23   1    -0.00   0.01   0.02     0.11  -0.16  -0.33    -0.07   0.04  -0.34
    24   1     0.01  -0.01  -0.02    -0.18   0.22   0.68    -0.11   0.23   0.11
    25   1     0.52  -0.23  -0.11    -0.12  -0.06  -0.01     0.26   0.08   0.07
    26   1    -0.14   0.19   0.50    -0.04   0.00  -0.11     0.17  -0.10   0.16
    27   1    -0.39   0.01  -0.45    -0.02   0.04  -0.02     0.20   0.06   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    237.0555               254.0247               269.2980
 Red. masses --      1.4304                 1.9393                 1.2521
 Frc consts  --      0.0474                 0.0737                 0.0535
 IR Inten    --      0.0380                 0.2095                 0.0712
 RamAct Fr= 1--      0.5776                 2.6140                 1.0840
  Dep-P Fr= 1--      0.7234                 0.1602                 0.1887
  Dep-U Fr= 1--      0.8395                 0.2761                 0.3175
 Alpha2 Fr= 1--      0.0003                 0.0394                 0.0152
 Beta2  Fr= 1--      0.0808                 0.1203                 0.0574
 AlphaG Fr= 1--     -0.0027                 0.0273                 0.0468
 Gamma2 Fr= 1--     -0.1709                 0.0687                 0.4030
 Delta2 Fr= 1--      0.0653                 0.2114                -0.0546
 Raman1 Fr= 1--       2.310                 10.456                  4.336
 ROA1   Fr= 1--     -14.317                 13.363                 36.947
 CID1   Fr= 1--      -6.197                  1.278                  8.521
 Raman2 Fr= 1--       0.970                  1.444                  0.688
 ROA2   Fr= 1--      -4.624                 -0.042                 10.110
 CID2   Fr= 1--      -4.768                 -0.029                 14.685
 Raman3 Fr= 1--       1.940                  2.887                  1.377
 ROA3   Fr= 1--     -14.317                 13.363                 36.947
 CID3   Fr= 1--      -7.382                  4.628                 26.833
 RC180  Fr= 1--       0.679                 -0.448                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.09     0.01  -0.01  -0.06     0.04  -0.01  -0.02
     2   6    -0.02  -0.02  -0.00    -0.04  -0.01  -0.02     0.00  -0.02   0.02
     3   6    -0.01  -0.00   0.01    -0.03  -0.04  -0.01    -0.00   0.01   0.02
     4   6    -0.01   0.01   0.05     0.00  -0.05   0.01    -0.03   0.06   0.08
     5   6     0.02   0.01   0.00     0.05   0.01   0.01    -0.02   0.02   0.00
     6   6     0.02   0.02   0.01     0.08   0.03   0.01    -0.03   0.01   0.01
     7   8     0.02   0.01   0.00     0.08   0.03   0.01    -0.04  -0.01  -0.01
     8   6    -0.07  -0.01   0.08    -0.09   0.01   0.07     0.03  -0.01  -0.02
     9   6    -0.05  -0.03  -0.02    -0.08  -0.00  -0.02     0.02  -0.04   0.00
    10   6    -0.02  -0.01  -0.02    -0.12  -0.02  -0.03     0.01  -0.01  -0.02
    11   6     0.05   0.01   0.00     0.13   0.03   0.03    -0.01  -0.00  -0.02
    12   1    -0.07  -0.03  -0.08    -0.10   0.04  -0.02     0.03  -0.06   0.01
    13   1    -0.09  -0.07   0.00    -0.07  -0.04  -0.03     0.04  -0.05  -0.01
    14   1     0.02   0.01   0.00     0.01  -0.02  -0.02     0.02   0.04   0.02
    15   1    -0.02  -0.01  -0.02    -0.16  -0.08  -0.05     0.01  -0.02  -0.05
    16   1    -0.01  -0.00  -0.05    -0.15   0.05  -0.05     0.01   0.02  -0.04
    17   1     0.48  -0.17  -0.26    -0.33   0.07  -0.02     0.22  -0.08  -0.08
    18   1    -0.13  -0.15   0.20     0.20   0.11  -0.36    -0.03  -0.08   0.09
    19   1    -0.07   0.40  -0.35     0.20  -0.21   0.19    -0.01   0.15  -0.12
    20   1    -0.07  -0.23   0.16     0.06   0.26   0.14     0.14   0.50  -0.09
    21   1    -0.00   0.07  -0.07    -0.29  -0.07   0.31    -0.21  -0.17   0.36
    22   1    -0.19   0.14   0.24    -0.10  -0.14  -0.12     0.20  -0.33  -0.40
    23   1    -0.03   0.03   0.11    -0.02  -0.04  -0.01    -0.06   0.10   0.18
    24   1     0.04  -0.01  -0.04     0.09   0.01   0.03    -0.01  -0.01  -0.10
    25   1     0.06   0.01   0.00     0.16   0.05   0.03    -0.02  -0.02  -0.02
    26   1     0.06  -0.02   0.00     0.14  -0.03   0.05    -0.00  -0.02  -0.03
    27   1     0.07   0.03  -0.00     0.16   0.05   0.03     0.01   0.02  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    277.1663               307.8571               346.9303
 Red. masses --      1.9857                 1.8985                 2.2429
 Frc consts  --      0.0899                 0.1060                 0.1591
 IR Inten    --      0.1475                 0.3473                 0.0451
 RamAct Fr= 1--      1.5961                 1.0444                 0.9541
  Dep-P Fr= 1--      0.2558                 0.3800                 0.3719
  Dep-U Fr= 1--      0.4074                 0.5507                 0.5422
 Alpha2 Fr= 1--      0.0186                 0.0083                 0.0078
 Beta2  Fr= 1--      0.1084                 0.0959                 0.0862
 AlphaG Fr= 1--      0.0019                 0.0392                -0.0423
 Gamma2 Fr= 1--      1.0345                -0.5229                -0.1451
 Delta2 Fr= 1--      0.0491                 0.0916                -0.0313
 Raman1 Fr= 1--       6.384                  4.178                  3.816
 ROA1   Fr= 1--     100.887                -47.267                -14.935
 CID1   Fr= 1--      15.802                -11.314                 -3.914
 Raman2 Fr= 1--       1.300                  1.150                  1.035
 ROA2   Fr= 1--      24.436                -13.283                 -3.233
 CID2   Fr= 1--      18.792                -11.547                 -3.125
 Raman3 Fr= 1--       2.601                  2.301                  2.069
 ROA3   Fr= 1--     100.887                -47.267                -14.935
 CID3   Fr= 1--      38.792                -20.545                 -7.218
 RC180  Fr= 1--      -0.185                  0.101                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.08     0.09  -0.04  -0.04    -0.14  -0.02  -0.03
     2   6    -0.01   0.00  -0.05     0.01  -0.03  -0.01    -0.04  -0.04  -0.06
     3   6     0.03   0.03  -0.01    -0.02  -0.04   0.02    -0.01  -0.08  -0.04
     4   6     0.00   0.06   0.10    -0.08   0.05   0.14    -0.03  -0.03   0.03
     5   6    -0.02  -0.03   0.02    -0.03   0.05   0.01     0.00  -0.01   0.01
     6   6    -0.03  -0.03   0.02    -0.04   0.05   0.01     0.01   0.01   0.02
     7   8    -0.00  -0.02   0.00    -0.06  -0.01  -0.03     0.02   0.01  -0.01
     8   6    -0.07   0.04   0.07     0.06   0.00  -0.08    -0.03   0.21   0.03
     9   6    -0.02  -0.01  -0.06     0.04  -0.01   0.04     0.13  -0.02   0.01
    10   6     0.16   0.01   0.02    -0.07  -0.04  -0.00     0.05  -0.07   0.01
    11   6    -0.10  -0.04  -0.03     0.06   0.02  -0.02     0.03  -0.00   0.00
    12   1    -0.06  -0.06  -0.23     0.08   0.01   0.17     0.22  -0.11   0.22
    13   1    -0.17   0.01   0.04     0.15   0.03  -0.04     0.28   0.15  -0.09
    14   1     0.09  -0.02  -0.03     0.04  -0.03   0.01     0.03  -0.13  -0.06
    15   1     0.25   0.14   0.14    -0.13  -0.13  -0.08     0.07  -0.07  -0.03
    16   1     0.29  -0.15  -0.00    -0.17   0.06   0.02    -0.01  -0.08   0.08
    17   1    -0.23   0.06  -0.06    -0.12   0.01  -0.02    -0.10  -0.02  -0.02
    18   1     0.22   0.08  -0.36     0.22   0.00  -0.27    -0.21   0.03   0.12
    19   1     0.24  -0.15   0.14     0.25  -0.15   0.14    -0.27  -0.04  -0.15
    20   1     0.01  -0.01   0.17    -0.08  -0.24  -0.14     0.08   0.31   0.12
    21   1    -0.13   0.06   0.06     0.23   0.11  -0.34    -0.27   0.37  -0.05
    22   1    -0.16   0.08   0.11     0.09   0.17   0.14     0.11   0.27   0.14
    23   1     0.01   0.10   0.24    -0.18   0.14   0.32    -0.06  -0.00   0.09
    24   1    -0.01  -0.06  -0.10     0.04  -0.02  -0.17     0.05  -0.03  -0.04
    25   1    -0.16  -0.09  -0.03     0.06  -0.00  -0.02     0.02  -0.01  -0.00
    26   1    -0.10   0.03  -0.09     0.07  -0.06  -0.03     0.03  -0.03  -0.01
    27   1    -0.12  -0.04  -0.04     0.12   0.09  -0.04     0.05   0.02  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    373.1294               442.9297               469.9913
 Red. masses --      2.2187                 2.4928                 2.8109
 Frc consts  --      0.1820                 0.2881                 0.3658
 IR Inten    --      0.0703                 0.2444                 1.8502
 RamAct Fr= 1--      0.5832                 2.0942                 0.2558
  Dep-P Fr= 1--      0.5327                 0.4201                 0.3096
  Dep-U Fr= 1--      0.6951                 0.5916                 0.4728
 Alpha2 Fr= 1--      0.0025                 0.0144                 0.0025
 Beta2  Fr= 1--      0.0676                 0.2065                 0.0202
 AlphaG Fr= 1--      0.0041                 0.0480                -0.0185
 Gamma2 Fr= 1--     -0.1647                -0.2343                 0.2590
 Delta2 Fr= 1--     -0.1482                -0.2380                -0.0229
 Raman1 Fr= 1--       2.333                  8.377                  1.023
 ROA1   Fr= 1--     -20.555                -30.109                 24.129
 CID1   Fr= 1--      -8.811                 -3.594                 23.580
 Raman2 Fr= 1--       0.811                  2.478                  0.242
 ROA2   Fr= 1--      -2.768                 -3.719                  6.399
 CID2   Fr= 1--      -3.414                 -1.501                 26.455
 Raman3 Fr= 1--       1.622                  4.956                  0.484
 ROA3   Fr= 1--     -20.555                -30.109                 24.129
 CID3   Fr= 1--     -12.676                 -6.075                 49.873
 RC180  Fr= 1--       0.390                  0.183                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.15  -0.08    -0.04   0.06   0.06    -0.03  -0.03  -0.02
     2   6     0.05  -0.05   0.12     0.16   0.05  -0.08     0.05  -0.03  -0.04
     3   6     0.00  -0.00   0.06     0.06  -0.10  -0.07     0.07  -0.06   0.00
     4   6     0.00  -0.01  -0.03    -0.02  -0.05   0.06     0.04   0.16  -0.05
     5   6    -0.00   0.01  -0.01    -0.01  -0.02   0.03     0.06   0.18  -0.05
     6   6    -0.01   0.01  -0.02    -0.08   0.07   0.03     0.11  -0.02   0.06
     7   8    -0.04  -0.01  -0.00    -0.09  -0.01  -0.05     0.04  -0.13   0.05
     8   6     0.13   0.04   0.05     0.08  -0.05   0.09     0.03  -0.00   0.04
     9   6    -0.05  -0.15  -0.00    -0.03   0.09  -0.08    -0.04   0.02   0.01
    10   6     0.01  -0.04  -0.05    -0.02  -0.05  -0.01    -0.10  -0.05   0.02
    11   6    -0.00   0.01   0.00     0.04   0.04  -0.02    -0.12  -0.01  -0.03
    12   1    -0.11  -0.12  -0.16    -0.13   0.27  -0.21    -0.06   0.11   0.04
    13   1    -0.14  -0.32   0.07    -0.15  -0.03   0.00    -0.02   0.00  -0.00
    14   1    -0.07   0.08   0.10     0.10  -0.12  -0.09     0.06  -0.14  -0.01
    15   1     0.02  -0.03  -0.06    -0.04  -0.04   0.13    -0.26  -0.24  -0.00
    16   1     0.05  -0.02  -0.11     0.02  -0.11  -0.00    -0.19   0.15  -0.02
    17   1    -0.33   0.02  -0.32    -0.05   0.15   0.19    -0.06  -0.01   0.00
    18   1     0.04   0.49  -0.13    -0.13   0.15   0.26    -0.05   0.03   0.04
    19   1    -0.05   0.19  -0.07    -0.25  -0.13  -0.08    -0.11  -0.10  -0.07
    20   1     0.08   0.06  -0.01     0.20  -0.11   0.25     0.11  -0.01   0.14
    21   1     0.12   0.12  -0.05     0.04  -0.12   0.21    -0.06   0.03   0.05
    22   1     0.28   0.08   0.13    -0.15  -0.06   0.04    -0.02   0.02   0.07
    23   1     0.00  -0.03  -0.09    -0.08   0.03   0.25    -0.14   0.20  -0.06
    24   1    -0.01   0.03   0.05     0.11  -0.10  -0.14    -0.08   0.17  -0.14
    25   1     0.02   0.04   0.00     0.06  -0.02  -0.03    -0.32  -0.19  -0.02
    26   1    -0.00   0.00   0.02     0.07  -0.10  -0.04    -0.14   0.35  -0.20
    27   1    -0.01   0.00   0.01     0.15   0.16  -0.07    -0.29  -0.14  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    529.8795               571.1037               592.5872
 Red. masses --      3.4216                 2.8922                 2.7614
 Frc consts  --      0.5660                 0.5558                 0.5713
 IR Inten    --      7.5931                11.4302                 0.7370
 RamAct Fr= 1--      1.5462                 7.9345                 0.8464
  Dep-P Fr= 1--      0.4057                 0.0706                 0.0629
  Dep-U Fr= 1--      0.5772                 0.1319                 0.1183
 Alpha2 Fr= 1--      0.0112                 0.1492                 0.0162
 Beta2  Fr= 1--      0.1487                 0.1744                 0.0167
 AlphaG Fr= 1--      0.0051                 0.1812                -0.1273
 Gamma2 Fr= 1--      0.3895                -0.2690                -0.3209
 Delta2 Fr= 1--      0.2105                -0.0340                 0.1349
 Raman1 Fr= 1--       6.185                 31.738                  3.386
 ROA1   Fr= 1--      44.131                -26.906                -26.492
 CID1   Fr= 1--       7.136                 -0.848                 -7.825
 Raman2 Fr= 1--       1.785                  2.093                  0.200
 ROA2   Fr= 1--       7.665                 -6.183                 -8.782
 CID2   Fr= 1--       4.294                 -2.954                -43.858
 Raman3 Fr= 1--       3.570                  4.186                  0.400
 ROA3   Fr= 1--      44.131                -26.906                -26.492
 CID3   Fr= 1--      12.363                 -6.427                -66.154
 RC180  Fr= 1--       0.154                 -0.736                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.04    -0.04  -0.10  -0.07    -0.04  -0.10  -0.07
     2   6     0.02   0.02   0.04     0.06  -0.06  -0.06    -0.02  -0.06   0.01
     3   6    -0.14  -0.02  -0.11     0.08   0.02   0.02     0.09   0.07   0.01
     4   6    -0.13   0.05  -0.08     0.02   0.14   0.01     0.12  -0.01  -0.09
     5   6    -0.10   0.04  -0.05    -0.11  -0.01   0.01     0.03  -0.08  -0.05
     6   6    -0.01  -0.02   0.20    -0.08  -0.10  -0.13    -0.11   0.09   0.20
     7   8     0.23   0.08  -0.03     0.05   0.16  -0.00    -0.03  -0.01  -0.09
     8   6     0.05  -0.02  -0.00     0.07  -0.01   0.05     0.00   0.00   0.01
     9   6     0.00  -0.01  -0.00    -0.02   0.03   0.03    -0.03  -0.01   0.08
    10   6    -0.00  -0.03  -0.00    -0.02   0.03   0.04    -0.00   0.10   0.05
    11   6     0.01  -0.14   0.05     0.00  -0.13   0.04    -0.01   0.03   0.01
    12   1    -0.03   0.03  -0.06    -0.07   0.09  -0.04    -0.04  -0.05  -0.01
    13   1    -0.04  -0.07   0.03    -0.09   0.05   0.08    -0.09   0.03   0.12
    14   1    -0.26  -0.00  -0.07     0.10  -0.05   0.00     0.01   0.05   0.03
    15   1     0.14   0.15   0.06    -0.18  -0.17  -0.03    -0.13  -0.07  -0.08
    16   1     0.07  -0.26   0.09    -0.12   0.24   0.00    -0.11   0.30   0.02
    17   1    -0.01   0.05   0.03    -0.08  -0.08  -0.05    -0.05  -0.15  -0.13
    18   1     0.01   0.09   0.07    -0.06  -0.03  -0.01    -0.02  -0.09  -0.10
    19   1    -0.02   0.04   0.01    -0.12  -0.18  -0.12    -0.01  -0.05  -0.05
    20   1    -0.03  -0.03  -0.08     0.18  -0.01   0.16     0.04   0.05   0.04
    21   1     0.14  -0.05  -0.02    -0.05   0.04   0.04    -0.09   0.07  -0.03
    22   1     0.08  -0.04  -0.02     0.05   0.02   0.09     0.08   0.03   0.06
    23   1    -0.25   0.16   0.17     0.09   0.10  -0.07     0.22  -0.00   0.01
    24   1    -0.14  -0.06  -0.36    -0.32   0.04   0.08     0.06  -0.13  -0.18
    25   1    -0.07  -0.40   0.03     0.21   0.21   0.05    -0.05  -0.37  -0.03
    26   1     0.05  -0.22  -0.10    -0.01  -0.36   0.29     0.07  -0.18  -0.20
    27   1     0.14   0.07  -0.10     0.05  -0.19   0.18     0.24   0.40  -0.24
                     19                     20                     21
                      A                      A                      A
 Frequencies --    642.8687               734.4497               804.5644
 Red. masses --      3.0557                 1.4617                 2.3306
 Frc consts  --      0.7441                 0.4646                 0.8889
 IR Inten    --      4.5884                 1.7872                 1.0794
 RamAct Fr= 1--      9.6102                 4.0338                 7.3414
  Dep-P Fr= 1--      0.1332                 0.0249                 0.0229
  Dep-U Fr= 1--      0.2351                 0.0485                 0.0448
 Alpha2 Fr= 1--      0.1550                 0.0846                 0.1546
 Beta2  Fr= 1--      0.3766                 0.0326                 0.0548
 AlphaG Fr= 1--      0.0461                -0.0334                -0.2963
 Gamma2 Fr= 1--      1.1551                -0.4740                 0.4875
 Delta2 Fr= 1--      0.9332                -0.0416                -0.5930
 Raman1 Fr= 1--      38.441                 16.135                 29.365
 ROA1   Fr= 1--     140.752                -46.836                 27.827
 CID1   Fr= 1--       3.662                 -2.903                  0.948
 Raman2 Fr= 1--       4.520                  0.392                  0.658
 ROA2   Fr= 1--      20.258                -11.044                 16.444
 CID2   Fr= 1--       4.482                -28.198                 25.010
 Raman3 Fr= 1--       9.039                  0.783                  1.315
 ROA3   Fr= 1--     140.752                -46.836                 27.827
 CID3   Fr= 1--      15.571                -59.794                 21.161
 RC180  Fr= 1--      -0.530                 -0.903                 -0.910
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.15   0.10    -0.02  -0.05  -0.03     0.00  -0.02  -0.04
     2   6    -0.05   0.08   0.02    -0.01  -0.01   0.02     0.05   0.04  -0.08
     3   6     0.15  -0.10   0.12    -0.01   0.05   0.09    -0.07  -0.00   0.21
     4   6     0.08   0.07  -0.05     0.02   0.02  -0.00    -0.13  -0.07   0.06
     5   6    -0.00   0.01  -0.04     0.02  -0.00  -0.02     0.02   0.02  -0.12
     6   6    -0.10   0.00   0.03    -0.02   0.01   0.02     0.01   0.04   0.03
     7   8    -0.01   0.06  -0.04    -0.01   0.01  -0.01     0.01   0.01  -0.01
     8   6    -0.14   0.04  -0.06     0.05  -0.01   0.03     0.03   0.01  -0.01
     9   6     0.01  -0.07  -0.08    -0.05   0.07  -0.08     0.03   0.01  -0.02
    10   6     0.02  -0.15  -0.00    -0.05  -0.06  -0.03     0.07   0.02  -0.03
    11   6    -0.03  -0.07   0.03    -0.01  -0.01   0.01    -0.00  -0.04   0.06
    12   1     0.08  -0.13   0.10     0.06   0.17   0.41     0.00  -0.01  -0.16
    13   1     0.14  -0.03  -0.17     0.34   0.10  -0.36    -0.08   0.07   0.06
    14   1     0.14  -0.23   0.09    -0.04   0.14   0.12     0.03   0.00   0.18
    15   1    -0.20  -0.38   0.04     0.06   0.19   0.37     0.06  -0.06  -0.29
    16   1    -0.01   0.13  -0.17     0.28  -0.33  -0.19    -0.03   0.25  -0.08
    17   1     0.10   0.14   0.10    -0.03  -0.09  -0.09     0.02   0.09   0.12
    18   1     0.08   0.07   0.03    -0.00  -0.04  -0.07    -0.04  -0.07   0.02
    19   1     0.14   0.22   0.16     0.01   0.01  -0.01    -0.08  -0.19  -0.07
    20   1    -0.17  -0.01  -0.07     0.07  -0.02   0.06     0.14  -0.07   0.13
    21   1    -0.07  -0.03  -0.01     0.04  -0.02   0.04    -0.01  -0.03   0.06
    22   1    -0.25   0.01  -0.11     0.04  -0.01   0.04    -0.16   0.03  -0.02
    23   1     0.03   0.05  -0.12     0.06  -0.02  -0.10    -0.18  -0.20  -0.39
    24   1    -0.14   0.03  -0.04    -0.01   0.03   0.06    -0.00   0.18   0.34
    25   1     0.04  -0.12   0.01    -0.01  -0.07   0.00    -0.10  -0.30   0.03
    26   1     0.01  -0.27   0.04     0.00  -0.06  -0.02     0.02  -0.01  -0.10
    27   1     0.11   0.08  -0.03     0.03   0.04  -0.03     0.00   0.06  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    818.7282               859.2869               892.4254
 Red. masses --      3.4602                 2.4072                 1.8324
 Frc consts  --      1.3666                 1.0472                 0.8598
 IR Inten    --      2.8623                 2.7187                 0.2732
 RamAct Fr= 1--      8.9871                21.9673                 5.9114
  Dep-P Fr= 1--      0.6621                 0.6694                 0.5312
  Dep-U Fr= 1--      0.7967                 0.8019                 0.6938
 Alpha2 Fr= 1--      0.0141                 0.0314                 0.0250
 Beta2  Fr= 1--      1.1933                 2.9360                 0.6836
 AlphaG Fr= 1--     -0.0149                 0.1134                 0.2231
 Gamma2 Fr= 1--     -2.0270                 5.2403                -2.5923
 Delta2 Fr= 1--     -0.1142                 0.3842                -1.2042
 Raman1 Fr= 1--      35.948                 87.869                 23.646
 ROA1   Fr= 1--    -198.242                515.360               -287.396
 CID1   Fr= 1--      -5.515                  5.865                -12.154
 Raman2 Fr= 1--      14.320                 35.232                  8.203
 ROA2   Fr= 1--     -47.734                122.693                -52.581
 CID2   Fr= 1--      -3.333                  3.482                 -6.410
 Raman3 Fr= 1--      28.639                 70.465                 16.406
 ROA3   Fr= 1--    -198.242                515.360               -287.396
 CID3   Fr= 1--      -6.922                  7.314                -17.517
 RC180  Fr= 1--       0.593                  0.604                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01    -0.06  -0.05   0.02     0.01   0.01  -0.02
     2   6     0.03   0.01  -0.04    -0.12   0.00   0.11     0.02   0.03  -0.05
     3   6    -0.02   0.04   0.07     0.06  -0.10   0.02     0.02  -0.03   0.09
     4   6    -0.04   0.09  -0.02    -0.07  -0.06  -0.03    -0.03  -0.07  -0.10
     5   6    -0.19  -0.16  -0.03    -0.04   0.02   0.02    -0.05   0.04   0.08
     6   6     0.01  -0.13   0.06     0.01  -0.01   0.00     0.01  -0.00   0.00
     7   8     0.09  -0.08   0.05     0.02  -0.01   0.01     0.01  -0.00   0.01
     8   6     0.01   0.00  -0.01     0.06  -0.02   0.08     0.03   0.01  -0.03
     9   6     0.01  -0.01  -0.04     0.02   0.15  -0.14    -0.07  -0.09   0.02
    10   6     0.02  -0.07   0.03     0.09   0.06  -0.01     0.02   0.13   0.01
    11   6     0.05   0.28  -0.08     0.02   0.01  -0.01     0.02  -0.01  -0.03
    12   1     0.02  -0.01   0.00     0.05   0.04  -0.18     0.07  -0.25   0.29
    13   1     0.02   0.04  -0.04    -0.05   0.30  -0.09     0.20  -0.01  -0.17
    14   1    -0.08  -0.04   0.07     0.01  -0.22   0.01    -0.10  -0.15   0.10
    15   1    -0.09  -0.20   0.02    -0.13  -0.21  -0.07    -0.02   0.10   0.05
    16   1    -0.01   0.07  -0.05    -0.05   0.35  -0.07     0.18   0.22  -0.22
    17   1     0.01   0.05   0.05    -0.02  -0.25  -0.26     0.01   0.08   0.09
    18   1    -0.01   0.01   0.03     0.04  -0.07  -0.18    -0.02  -0.02   0.03
    19   1    -0.03  -0.05  -0.02     0.15   0.29   0.12    -0.05  -0.11  -0.04
    20   1     0.06  -0.04   0.06    -0.09   0.03  -0.10     0.16  -0.10   0.15
    21   1    -0.00  -0.02   0.03     0.18  -0.04   0.03    -0.02  -0.04   0.09
    22   1    -0.08   0.01  -0.02     0.24  -0.07   0.06    -0.23   0.04  -0.04
    23   1     0.13   0.02  -0.10    -0.21  -0.01   0.05    -0.19   0.08   0.26
    24   1    -0.54  -0.09   0.03    -0.01  -0.04  -0.14     0.09  -0.15  -0.41
    25   1     0.12   0.27  -0.09    -0.00   0.05  -0.00     0.01   0.14  -0.00
    26   1     0.07   0.25  -0.11     0.01   0.06   0.00    -0.01   0.07   0.05
    27   1     0.15   0.38  -0.11    -0.02  -0.04   0.02    -0.06  -0.13   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --    909.0954               941.9946               956.7925
 Red. masses --      2.1648                 2.2409                 1.5722
 Frc consts  --      1.0541                 1.1716                 0.8480
 IR Inten    --      0.8039                 4.1175                 0.4144
 RamAct Fr= 1--      5.5346                14.7339                 3.8801
  Dep-P Fr= 1--      0.6523                 0.3372                 0.4892
  Dep-U Fr= 1--      0.7896                 0.5043                 0.6570
 Alpha2 Fr= 1--      0.0097                 0.1348                 0.0201
 Beta2  Fr= 1--      0.7283                 1.2385                 0.4249
 AlphaG Fr= 1--      0.1943                 0.3699                 0.0086
 Gamma2 Fr= 1--      1.0652                -0.9404                 1.0839
 Delta2 Fr= 1--     -0.6689                -1.3852                 0.1991
 Raman1 Fr= 1--      22.138                 58.935                 15.520
 ROA1   Fr= 1--      80.849               -134.610                110.429
 CID1   Fr= 1--       3.652                 -2.284                  7.115
 Raman2 Fr= 1--       8.740                 14.862                  5.099
 ROA2   Fr= 1--      30.915                -11.489                 24.422
 CID2   Fr= 1--       3.537                 -0.773                  4.790
 Raman3 Fr= 1--      17.479                 29.724                 10.197
 ROA3   Fr= 1--      80.849               -134.610                110.429
 CID3   Fr= 1--       4.625                 -4.529                 10.829
 RC180  Fr= 1--       0.579                  0.009                  0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.03    -0.05   0.02  -0.02    -0.05   0.11   0.02
     2   6    -0.06  -0.01  -0.03    -0.06   0.07  -0.06    -0.06  -0.04  -0.06
     3   6     0.05  -0.08  -0.13    -0.08   0.10  -0.01    -0.01   0.01  -0.00
     4   6    -0.05   0.04   0.11     0.03   0.01  -0.01     0.01   0.00  -0.01
     5   6     0.01  -0.03  -0.09     0.02  -0.01   0.02     0.00   0.00   0.01
     6   6    -0.00  -0.01   0.00     0.01   0.03  -0.01    -0.00   0.00   0.00
     7   8     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
     8   6     0.06  -0.02   0.03     0.12   0.01   0.04     0.07  -0.09  -0.01
     9   6    -0.07  -0.09   0.01     0.05  -0.10  -0.14    -0.05   0.03   0.07
    10   6    -0.03   0.16   0.03    -0.05  -0.05   0.15     0.04  -0.06  -0.06
    11   6    -0.00   0.02   0.02     0.01  -0.03   0.01    -0.00  -0.00  -0.00
    12   1     0.08  -0.31   0.25     0.17  -0.48  -0.20    -0.05   0.06   0.10
    13   1     0.18  -0.02  -0.18    -0.00   0.13  -0.10    -0.06   0.17   0.08
    14   1     0.29  -0.32  -0.24    -0.12   0.05  -0.01    -0.01   0.06   0.01
    15   1    -0.03   0.20   0.18    -0.16  -0.18   0.12     0.09  -0.05  -0.19
    16   1     0.12   0.06  -0.05    -0.26   0.01   0.34     0.01  -0.02  -0.05
    17   1     0.04   0.06   0.05     0.10   0.05   0.06     0.25   0.19   0.21
    18   1     0.01   0.00   0.01    -0.03  -0.22  -0.15    -0.04  -0.35  -0.19
    19   1     0.04   0.07   0.06     0.09   0.06   0.09     0.21   0.15   0.25
    20   1     0.06  -0.01   0.03     0.15  -0.10   0.11     0.32   0.06   0.21
    21   1     0.04  -0.01   0.02     0.19  -0.10   0.15    -0.33   0.16  -0.12
    22   1     0.09  -0.02   0.05    -0.09  -0.02  -0.04     0.21   0.07   0.22
    23   1     0.00  -0.11  -0.29     0.16   0.01   0.07     0.02   0.01   0.03
    24   1    -0.14   0.14   0.34     0.11  -0.03  -0.01     0.02  -0.02  -0.04
    25   1    -0.01  -0.11   0.00    -0.04  -0.05   0.02     0.01   0.02  -0.00
    26   1     0.02  -0.02  -0.06    -0.00   0.03  -0.01    -0.00  -0.01   0.01
    27   1     0.05   0.13  -0.07    -0.04  -0.07   0.01     0.00  -0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    981.5139               989.2125              1009.5456
 Red. masses --      1.8160                 1.5828                 1.4932
 Frc consts  --      1.0307                 0.9126                 0.8966
 IR Inten    --      0.0096                 3.7364                19.0275
 RamAct Fr= 1--      6.1765                11.2104                29.2214
  Dep-P Fr= 1--      0.2064                 0.4136                 0.3717
  Dep-U Fr= 1--      0.3422                 0.5852                 0.5419
 Alpha2 Fr= 1--      0.0825                 0.0790                 0.2388
 Beta2  Fr= 1--      0.3523                 1.0934                 2.6393
 AlphaG Fr= 1--     -0.0194                -0.0069                 0.1240
 Gamma2 Fr= 1--     -1.1823                -1.6184                 1.7127
 Delta2 Fr= 1--      0.2250                -0.1022                 0.6470
 Raman1 Fr= 1--      24.706                 44.842                116.886
 ROA1   Fr= 1--    -106.303               -158.638                185.126
 CID1   Fr= 1--      -4.303                 -3.538                  1.584
 Raman2 Fr= 1--       4.227                 13.120                 31.672
 ROA2   Fr= 1--     -30.176                -38.024                 35.930
 CID2   Fr= 1--      -7.139                 -2.898                  1.134
 Raman3 Fr= 1--       8.454                 26.241                 63.344
 ROA3   Fr= 1--    -106.303               -158.638                185.126
 CID3   Fr= 1--     -12.574                 -6.046                  2.923
 RC180  Fr= 1--      -0.316                  0.170                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.03     0.06  -0.00   0.10     0.00   0.02  -0.06
     2   6    -0.06   0.07  -0.00     0.02  -0.09  -0.02    -0.01   0.03   0.00
     3   6    -0.03  -0.02  -0.04    -0.01   0.05  -0.05     0.02   0.02  -0.01
     4   6     0.04   0.03   0.00    -0.02  -0.00   0.01     0.01   0.02  -0.01
     5   6     0.03  -0.00  -0.00    -0.03  -0.03  -0.01    -0.07  -0.07   0.01
     6   6    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.02   0.05  -0.01
     7   8    -0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.03   0.04  -0.02
     8   6     0.07   0.08   0.06     0.00  -0.01  -0.06    -0.02  -0.00   0.06
     9   6    -0.10   0.00   0.11    -0.07   0.02  -0.01    -0.01  -0.01   0.02
    10   6     0.07  -0.09  -0.08     0.05  -0.03   0.02     0.02  -0.03  -0.01
    11   6    -0.03   0.01  -0.01     0.05  -0.03   0.03     0.11  -0.04   0.04
    12   1    -0.03  -0.10   0.26     0.02  -0.09   0.19    -0.04   0.11   0.07
    13   1    -0.05   0.33   0.08     0.01   0.39  -0.07     0.03  -0.14  -0.01
    14   1    -0.00  -0.06  -0.06    -0.08   0.10  -0.02     0.02  -0.13  -0.04
    15   1     0.14  -0.10  -0.37    -0.03  -0.16  -0.09    -0.08  -0.12   0.07
    16   1    -0.00  -0.02  -0.06    -0.06   0.13   0.03     0.09   0.07  -0.16
    17   1    -0.04  -0.01  -0.01    -0.17  -0.20  -0.24     0.07   0.17   0.18
    18   1    -0.02  -0.03  -0.01     0.13   0.43   0.14    -0.08  -0.15   0.02
    19   1    -0.04  -0.06  -0.04    -0.02   0.19  -0.04    -0.05  -0.19  -0.04
    20   1    -0.13  -0.16  -0.07     0.18  -0.07   0.15    -0.21   0.08  -0.18
    21   1     0.48  -0.24   0.26    -0.17   0.01   0.02     0.15  -0.00  -0.05
    22   1    -0.24  -0.08  -0.20    -0.19   0.05  -0.02     0.22  -0.07   0.02
    23   1     0.07   0.04   0.06     0.10  -0.02   0.04     0.14   0.00   0.04
    24   1     0.01   0.03   0.09     0.03  -0.01   0.08    -0.05  -0.07   0.02
    25   1     0.06   0.05  -0.02    -0.14  -0.15   0.04    -0.26  -0.24   0.08
    26   1    -0.02  -0.11   0.04     0.03   0.24  -0.09     0.06   0.47  -0.17
    27   1     0.05   0.06   0.00    -0.13  -0.15  -0.01    -0.23  -0.27  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.2014              1030.8106              1051.2846
 Red. masses --      1.1338                 1.5412                 1.8556
 Frc consts  --      0.7021                 0.9649                 1.2083
 IR Inten    --     29.8890                 0.9688                 0.6103
 RamAct Fr= 1--      2.7079                 4.3304                 1.2299
  Dep-P Fr= 1--      0.3880                 0.4786                 0.6286
  Dep-U Fr= 1--      0.5591                 0.6474                 0.7720
 Alpha2 Fr= 1--      0.0209                 0.0235                 0.0027
 Beta2  Fr= 1--      0.2523                 0.4673                 0.1582
 AlphaG Fr= 1--      0.5300                 0.0050                 0.0158
 Gamma2 Fr= 1--      1.3054                 2.0096                 0.1525
 Delta2 Fr= 1--      0.1500                 2.0535                 0.0156
 Raman1 Fr= 1--      10.831                 17.321                  4.919
 ROA1   Fr= 1--     130.121                258.632                 15.141
 CID1   Fr= 1--      12.013                 14.931                  3.078
 Raman2 Fr= 1--       3.028                  5.607                  1.899
 ROA2   Fr= 1--      30.131                 31.803                  3.535
 CID2   Fr= 1--       9.951                  5.672                  1.862
 Raman3 Fr= 1--       6.056                 11.214                  3.798
 ROA3   Fr= 1--     130.121                258.632                 15.141
 CID3   Fr= 1--      21.487                 23.063                  3.987
 RC180  Fr= 1--       0.118                  0.295                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00     0.10   0.04  -0.02     0.00   0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.02  -0.05  -0.03    -0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.01    -0.08   0.03   0.01     0.00   0.00  -0.00
     4   6     0.03  -0.02  -0.06     0.02   0.00   0.00    -0.02   0.01   0.04
     5   6     0.02  -0.02  -0.05     0.05   0.02   0.02     0.01  -0.02  -0.06
     6   6    -0.01   0.01   0.03     0.00  -0.00  -0.00    -0.05   0.07   0.19
     7   8     0.00  -0.00  -0.01     0.01  -0.02   0.01     0.01  -0.01  -0.03
     8   6    -0.01  -0.01   0.00    -0.03  -0.06   0.07    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.02    -0.05   0.01  -0.06     0.00  -0.00   0.00
    10   6     0.00   0.02   0.01     0.04  -0.00   0.03    -0.00  -0.00   0.00
    11   6    -0.00  -0.01  -0.02    -0.05   0.00  -0.01     0.04  -0.05  -0.14
    12   1     0.01  -0.01   0.00     0.03  -0.09   0.08    -0.00   0.00  -0.00
    13   1     0.02  -0.00  -0.03     0.04   0.23  -0.12    -0.00   0.00   0.00
    14   1    -0.10  -0.07   0.02    -0.10  -0.14  -0.02     0.05   0.03  -0.01
    15   1    -0.01   0.00   0.00    -0.06  -0.13  -0.05     0.00  -0.00   0.00
    16   1     0.01   0.04  -0.01    -0.02   0.19  -0.04    -0.00  -0.01   0.01
    17   1    -0.00   0.02   0.02    -0.06   0.20   0.18    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.02    -0.02   0.20   0.26     0.00   0.01   0.00
    19   1    -0.01  -0.02  -0.01    -0.18  -0.29  -0.18    -0.01  -0.01  -0.00
    20   1    -0.01   0.02  -0.01    -0.19   0.14  -0.18    -0.01  -0.00  -0.01
    21   1    -0.03   0.02  -0.03     0.01   0.08  -0.15     0.01  -0.00   0.00
    22   1     0.06  -0.00   0.03     0.40  -0.07   0.12     0.00  -0.00  -0.00
    23   1    -0.14   0.24   0.63     0.10  -0.03  -0.07     0.06  -0.11  -0.29
    24   1    -0.14   0.23   0.62     0.15  -0.04  -0.11    -0.00  -0.01  -0.02
    25   1     0.02   0.09  -0.01     0.11   0.08  -0.03     0.06   0.59  -0.05
    26   1    -0.02  -0.01   0.06    -0.03  -0.22   0.07    -0.08   0.12   0.29
    27   1    -0.01  -0.05   0.05     0.10   0.10   0.01    -0.14  -0.49   0.31
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1101.6406              1107.1323              1165.0677
 Red. masses --      1.8477                 1.3105                 1.7181
 Frc consts  --      1.3212                 0.9464                 1.3741
 IR Inten    --     20.0483                 8.8172                 3.0031
 RamAct Fr= 1--     64.0221                 4.5811                44.8283
  Dep-P Fr= 1--      0.2426                 0.6217                 0.4278
  Dep-U Fr= 1--      0.3904                 0.7667                 0.5993
 Alpha2 Fr= 1--      0.7747                 0.0107                 0.2997
 Beta2  Fr= 1--      4.1661                 0.5854                 4.4774
 AlphaG Fr= 1--      0.6207                 0.0710                 0.9461
 Gamma2 Fr= 1--      6.1277                 4.2415                 8.5081
 Delta2 Fr= 1--      2.1338                -0.5491                 1.7038
 Raman1 Fr= 1--     256.089                 18.324                179.313
 ROA1   Fr= 1--     656.536                389.609                871.298
 CID1   Fr= 1--       2.564                 21.262                  4.859
 Raman2 Fr= 1--      49.993                  7.025                 53.729
 ROA2   Fr= 1--     129.994                106.187                190.564
 CID2   Fr= 1--       2.600                 15.116                  3.547
 Raman3 Fr= 1--      99.986                 14.050                107.457
 ROA3   Fr= 1--     656.536                389.609                871.298
 CID3   Fr= 1--       6.566                 27.730                  8.108
 RC180  Fr= 1--      -0.219                  0.533                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.04    -0.04  -0.01   0.02    -0.02  -0.02   0.07
     2   6     0.01   0.00   0.04     0.04   0.01  -0.00     0.03   0.02  -0.14
     3   6     0.13   0.09  -0.09    -0.08   0.06  -0.05     0.01   0.11   0.05
     4   6    -0.11  -0.10   0.00    -0.03   0.01   0.02    -0.02  -0.07  -0.05
     5   6    -0.01   0.05  -0.03     0.02   0.00  -0.00    -0.03   0.04  -0.00
     6   6     0.01  -0.01  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.01
     7   8     0.02  -0.02   0.01     0.00  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02   0.01   0.01     0.00   0.01  -0.02    -0.02  -0.01   0.07
     9   6    -0.04  -0.02   0.03     0.01  -0.02   0.01    -0.00  -0.06   0.01
    10   6     0.06  -0.06   0.04     0.06  -0.02   0.04    -0.03  -0.03   0.03
    11   6    -0.03   0.01  -0.01    -0.04  -0.01  -0.01    -0.00   0.00  -0.00
    12   1    -0.00  -0.04   0.14    -0.11   0.40   0.10    -0.06   0.17   0.07
    13   1     0.02   0.01  -0.02     0.09  -0.34  -0.05    -0.01   0.07   0.02
    14   1     0.11   0.68   0.02    -0.19  -0.37  -0.10     0.67  -0.16  -0.19
    15   1    -0.25  -0.32   0.29    -0.15  -0.24   0.09     0.13   0.09  -0.15
    16   1     0.03   0.13  -0.06     0.15   0.30  -0.29     0.00  -0.06   0.02
    17   1     0.05   0.11   0.11     0.04  -0.10  -0.09    -0.01  -0.16  -0.16
    18   1    -0.05  -0.12  -0.00     0.02  -0.07  -0.12     0.09   0.10  -0.08
    19   1    -0.02  -0.12  -0.01     0.08   0.14   0.09     0.06   0.24   0.05
    20   1    -0.07   0.01  -0.04     0.04  -0.03   0.03    -0.16   0.09  -0.13
    21   1     0.03  -0.01   0.01    -0.01  -0.01   0.02     0.15   0.02  -0.08
    22   1    -0.01  -0.01  -0.02    -0.09   0.02  -0.03     0.22  -0.09   0.00
    23   1    -0.22  -0.06   0.04     0.18  -0.04   0.00    -0.15   0.00   0.08
    24   1     0.02   0.08   0.08     0.18  -0.01   0.06    -0.06   0.02  -0.07
    25   1     0.06   0.04  -0.02     0.06   0.03  -0.02     0.01   0.02  -0.00
    26   1    -0.01  -0.12   0.03    -0.02  -0.14   0.05    -0.00  -0.02   0.01
    27   1     0.05   0.07  -0.00     0.05   0.04   0.02     0.01   0.01   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.9199              1226.9958              1244.1068
 Red. masses --      1.6998                 1.4768                 1.9045
 Frc consts  --      1.4443                 1.3099                 1.7367
 IR Inten    --      3.1661                 8.7545                 2.7028
 RamAct Fr= 1--      4.1418                10.9391                 9.0872
  Dep-P Fr= 1--      0.7400                 0.5799                 0.2770
  Dep-U Fr= 1--      0.8506                 0.7341                 0.4339
 Alpha2 Fr= 1--      0.0007                 0.0349                 0.0997
 Beta2  Fr= 1--      0.5872                 1.3385                 0.6571
 AlphaG Fr= 1--     -0.0052                 0.0582                 0.0922
 Gamma2 Fr= 1--      1.0297                 2.0902                 0.2600
 Delta2 Fr= 1--      0.6291                 0.2393                 0.2304
 Raman1 Fr= 1--      16.567                 43.756                 36.349
 ROA1   Fr= 1--     118.984                208.320                 32.334
 CID1   Fr= 1--       7.182                  4.761                  0.890
 Raman2 Fr= 1--       7.046                 16.062                  7.885
 ROA2   Fr= 1--      19.680                 48.250                  4.396
 CID2   Fr= 1--       2.793                  3.004                  0.558
 Raman3 Fr= 1--      14.092                 32.123                 15.771
 ROA3   Fr= 1--     118.984                208.320                 32.334
 CID3   Fr= 1--       8.444                  6.485                  2.050
 RC180  Fr= 1--       0.701                  0.468                 -0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.01     0.03   0.02  -0.05     0.01  -0.07  -0.00
     2   6     0.15  -0.02  -0.05    -0.07  -0.03   0.11     0.03   0.21   0.04
     3   6     0.02  -0.08  -0.01     0.02   0.03  -0.01     0.01  -0.01  -0.03
     4   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
     6   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.00    -0.02  -0.02   0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.06   0.02   0.05     0.03   0.01  -0.04    -0.01  -0.09  -0.02
     9   6    -0.06  -0.05  -0.06    -0.02  -0.05  -0.09    -0.08   0.07   0.01
    10   6     0.01   0.04   0.08     0.02   0.01   0.07     0.03  -0.06   0.05
    11   6     0.01   0.00   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    12   1    -0.05   0.14   0.18    -0.14   0.55   0.19     0.09  -0.37   0.10
    13   1     0.09   0.10  -0.16     0.08  -0.08  -0.16     0.16  -0.48  -0.18
    14   1    -0.42   0.35   0.19     0.25  -0.08  -0.09     0.04   0.02  -0.03
    15   1     0.19   0.12  -0.37     0.21   0.08  -0.38     0.16  -0.04  -0.36
    16   1    -0.07   0.09   0.14    -0.19  -0.00   0.31    -0.06   0.01   0.09
    17   1     0.15  -0.03  -0.01    -0.02   0.14   0.12    -0.13  -0.16  -0.16
    18   1     0.00  -0.15  -0.18    -0.07  -0.05   0.11     0.03   0.03  -0.02
    19   1     0.13   0.14   0.15    -0.04  -0.17  -0.05    -0.10  -0.05  -0.12
    20   1    -0.25   0.07  -0.18     0.10  -0.07   0.09     0.13   0.17   0.05
    21   1     0.11   0.02  -0.07    -0.07  -0.03   0.09    -0.22   0.11  -0.15
    22   1     0.08  -0.08  -0.06    -0.15   0.06  -0.01     0.17   0.07   0.19
    23   1    -0.02   0.00  -0.07    -0.05   0.01   0.01     0.04  -0.01   0.00
    24   1     0.00  -0.01   0.01     0.01   0.01  -0.01     0.06   0.01   0.02
    25   1    -0.01  -0.01   0.00    -0.02   0.01   0.01    -0.01   0.01   0.00
    26   1     0.00   0.02  -0.01     0.01   0.06  -0.02     0.00   0.04  -0.01
    27   1    -0.01  -0.00  -0.01    -0.01   0.00  -0.02    -0.00   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1269.7344              1277.9738              1286.1527
 Red. masses --      1.6016                 2.9338                 1.6943
 Frc consts  --      1.5214                 2.8231                 1.6513
 IR Inten    --     40.6148               112.5049                11.6195
 RamAct Fr= 1--     53.1059                 8.8100                 3.7668
  Dep-P Fr= 1--      0.2379                 0.3019                 0.6148
  Dep-U Fr= 1--      0.3843                 0.4638                 0.7614
 Alpha2 Fr= 1--      0.6510                 0.0898                 0.0093
 Beta2  Fr= 1--      3.4016                 0.6810                 0.4780
 AlphaG Fr= 1--      0.1784                -0.0343                 0.0063
 Gamma2 Fr= 1--      9.8296                -1.3548                 0.1134
 Delta2 Fr= 1--      5.4561                -0.5172                -0.8054
 Raman1 Fr= 1--     212.424                 35.240                 15.067
 ROA1   Fr= 1--    1118.238               -146.614                -14.889
 CID1   Fr= 1--       5.264                 -4.160                 -0.988
 Raman2 Fr= 1--      40.820                  8.172                  5.736
 ROA2   Fr= 1--     192.261                -28.378                  9.164
 CID2   Fr= 1--       4.710                 -3.472                  1.598
 Raman3 Fr= 1--      81.640                 16.345                 11.472
 ROA3   Fr= 1--    1118.238               -146.614                -14.889
 CID3   Fr= 1--      13.697                 -8.970                 -1.298
 RC180  Fr= 1--      -0.231                 -0.072                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.00   0.01  -0.03    -0.04   0.04  -0.02
     2   6     0.08  -0.04   0.02     0.03  -0.01   0.08     0.10  -0.11   0.06
     3   6    -0.05   0.02   0.03     0.11   0.02   0.00     0.02   0.05   0.02
     4   6     0.03  -0.02   0.00    -0.07   0.03  -0.02    -0.05   0.02  -0.03
     5   6    -0.01  -0.02   0.01    -0.16  -0.08  -0.02    -0.03   0.04  -0.02
     6   6     0.08   0.07  -0.01     0.22   0.21  -0.02    -0.07  -0.07   0.01
     7   8    -0.02  -0.01  -0.00    -0.00  -0.05   0.02     0.03  -0.00   0.01
     8   6    -0.02   0.01  -0.00    -0.01  -0.00  -0.02    -0.03   0.04  -0.01
     9   6    -0.07   0.04   0.00     0.01   0.01  -0.02    -0.04   0.08  -0.00
    10   6     0.10   0.04  -0.09    -0.09  -0.04   0.05    -0.02  -0.03  -0.02
    11   6    -0.02  -0.01  -0.00    -0.09  -0.02  -0.01     0.01   0.00   0.00
    12   1     0.01  -0.11   0.11     0.06  -0.14  -0.05     0.11  -0.38  -0.07
    13   1     0.13  -0.21  -0.15    -0.08   0.23   0.05     0.04  -0.04  -0.06
    14   1     0.15  -0.17  -0.06     0.01  -0.19  -0.01     0.19  -0.29  -0.09
    15   1    -0.17  -0.17   0.23     0.26   0.24  -0.32     0.08   0.08  -0.02
    16   1    -0.36  -0.17   0.55     0.13  -0.05  -0.19    -0.08  -0.02   0.05
    17   1     0.08  -0.01  -0.01     0.02   0.04   0.04     0.14   0.04   0.04
    18   1    -0.02  -0.09  -0.07    -0.04  -0.08   0.01    -0.05  -0.15  -0.06
    19   1     0.05  -0.00   0.07    -0.01  -0.10   0.00     0.08  -0.06   0.11
    20   1    -0.05  -0.01  -0.03    -0.00   0.00  -0.00    -0.08  -0.06  -0.03
    21   1     0.01   0.00  -0.01    -0.07   0.01   0.00     0.02  -0.02   0.03
    22   1    -0.03  -0.02  -0.04    -0.05   0.02   0.01    -0.08  -0.02  -0.09
    23   1    -0.07  -0.00  -0.02     0.28  -0.02   0.07     0.20  -0.01   0.06
    24   1    -0.36  -0.01  -0.11     0.03  -0.09   0.04     0.64  -0.01   0.16
    25   1     0.03  -0.06  -0.02     0.13  -0.15  -0.05    -0.00   0.09   0.01
    26   1    -0.01  -0.16   0.06    -0.05  -0.44   0.16     0.00   0.16  -0.06
    27   1     0.01  -0.04   0.06     0.06  -0.06   0.18     0.02   0.06  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.6756              1298.8084              1348.3133
 Red. masses --      1.6230                 1.7456                 1.3538
 Frc consts  --      1.6053                 1.7349                 1.4501
 IR Inten    --      1.9368                 0.8701                 0.1408
 RamAct Fr= 1--     25.2597                 9.0687                16.1332
  Dep-P Fr= 1--      0.2058                 0.2552                 0.2592
  Dep-U Fr= 1--      0.3413                 0.4066                 0.4117
 Alpha2 Fr= 1--      0.3378                 0.1059                 0.1863
 Beta2  Fr= 1--      1.4368                 0.6146                 1.1070
 AlphaG Fr= 1--     -0.1770                 0.1006                -0.1060
 Gamma2 Fr= 1--     -2.7983                -3.6532                 2.1177
 Delta2 Fr= 1--      0.0250                -1.2962                 0.5361
 Raman1 Fr= 1--     101.039                 36.275                 64.533
 ROA1   Fr= 1--    -267.833               -392.188                220.451
 CID1   Fr= 1--      -2.651                -10.812                  3.416
 Raman2 Fr= 1--      17.242                  7.375                 13.284
 ROA2   Fr= 1--     -67.359                -77.307                 46.535
 CID2   Fr= 1--      -3.907                -10.482                  3.503
 Raman3 Fr= 1--      34.484                 14.751                 26.568
 ROA3   Fr= 1--    -267.833               -392.188                220.451
 CID3   Fr= 1--      -7.767                -26.588                  8.298
 RC180  Fr= 1--      -0.317                 -0.187                 -0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01     0.03   0.00   0.04     0.01   0.00   0.01
     2   6     0.03   0.13   0.03    -0.13  -0.04  -0.13    -0.03  -0.00  -0.03
     3   6     0.05  -0.00   0.02     0.04  -0.05   0.04     0.04  -0.03   0.02
     4   6    -0.04   0.04  -0.01    -0.03   0.06  -0.04    -0.03  -0.08   0.03
     5   6    -0.03  -0.01  -0.01    -0.07  -0.04   0.00    -0.03   0.12  -0.05
     6   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.01  -0.02   0.00
     7   8     0.02  -0.01   0.01     0.01  -0.02   0.01     0.01   0.00   0.00
     8   6    -0.01  -0.05   0.00     0.03   0.02   0.03     0.00   0.00   0.01
     9   6     0.00  -0.12  -0.00     0.00   0.03   0.03     0.00  -0.00   0.00
    10   6     0.02   0.03  -0.09     0.03   0.02  -0.02     0.00   0.01  -0.02
    11   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.02   0.01
    12   1    -0.09   0.25   0.14    -0.05   0.14  -0.02    -0.02   0.05  -0.00
    13   1    -0.13   0.46   0.11     0.14  -0.51  -0.09     0.02  -0.05  -0.01
    14   1    -0.16  -0.18   0.04    -0.04   0.29   0.12    -0.14  -0.01   0.08
    15   1    -0.15  -0.05   0.27     0.00   0.00   0.03     0.01   0.03  -0.01
    16   1    -0.19  -0.17   0.29    -0.17  -0.02   0.24    -0.05  -0.06   0.10
    17   1    -0.04  -0.06  -0.06    -0.08   0.02   0.02    -0.01  -0.00  -0.00
    18   1     0.02   0.00  -0.03     0.05   0.17   0.08     0.01   0.03   0.02
    19   1    -0.04  -0.01  -0.05    -0.01   0.12  -0.04    -0.01   0.01  -0.01
    20   1     0.02   0.13  -0.03     0.01  -0.06   0.03    -0.00  -0.01   0.00
    21   1    -0.11   0.07  -0.10     0.16  -0.06   0.06     0.03  -0.01   0.01
    22   1     0.05   0.03   0.10     0.07  -0.05  -0.04     0.03  -0.01  -0.00
    23   1     0.08   0.01  -0.01     0.07   0.06   0.01     0.81  -0.19   0.28
    24   1     0.45  -0.04   0.14     0.52  -0.09   0.17    -0.27   0.14  -0.13
    25   1     0.02   0.03  -0.00     0.04  -0.01  -0.01     0.04   0.08   0.01
    26   1    -0.01   0.03  -0.01    -0.01  -0.06   0.02    -0.02   0.11  -0.05
    27   1     0.02   0.03  -0.01     0.03   0.00   0.03     0.05   0.06  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.8225              1389.3007              1405.2518
 Red. masses --      1.5938                 1.3595                 1.2870
 Frc consts  --      1.7671                 1.5460                 1.4974
 IR Inten    --      1.3943                44.5455                 9.7517
 RamAct Fr= 1--     24.3786                 1.1219                 1.7336
  Dep-P Fr= 1--      0.2933                 0.7315                 0.4683
  Dep-U Fr= 1--      0.4536                 0.8449                 0.6379
 Alpha2 Fr= 1--      0.2550                 0.0004                 0.0099
 Beta2  Fr= 1--      1.8431                 0.1580                 0.1843
 AlphaG Fr= 1--      0.1167                 0.0006                 0.0109
 Gamma2 Fr= 1--      0.4265                 0.2165                -0.1130
 Delta2 Fr= 1--      0.0970                -0.1143                -0.0046
 Raman1 Fr= 1--      97.514                  4.488                  6.935
 ROA1   Fr= 1--      44.051                 17.124                -10.998
 CID1   Fr= 1--       0.452                  3.816                 -1.586
 Raman2 Fr= 1--      22.117                  1.896                  2.212
 ROA2   Fr= 1--       9.460                  6.110                 -2.675
 CID2   Fr= 1--       0.428                  3.223                 -1.210
 Raman3 Fr= 1--      44.234                  3.792                  4.423
 ROA3   Fr= 1--      44.051                 17.124                -10.998
 CID3   Fr= 1--       0.996                  4.516                 -2.486
 RC180  Fr= 1--      -0.093                  0.690                  0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.04  -0.08  -0.06
     2   6     0.04   0.03   0.04     0.00  -0.00   0.00     0.03   0.02   0.03
     3   6    -0.15  -0.13   0.01    -0.00   0.00  -0.00    -0.02  -0.02  -0.00
     4   6     0.03   0.04  -0.04     0.01   0.01  -0.00     0.00   0.01  -0.00
     5   6    -0.04  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.00  -0.00
     6   6     0.02   0.02   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.09   0.02  -0.05
     9   6     0.00  -0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   6     0.03   0.03   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    11   6    -0.01  -0.00  -0.00    -0.04  -0.15   0.04    -0.00  -0.00   0.00
    12   1    -0.01   0.05  -0.01     0.00  -0.00   0.00     0.01  -0.02   0.02
    13   1    -0.00   0.13  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.00
    14   1     0.64   0.48  -0.09     0.02   0.01  -0.01     0.09   0.04  -0.02
    15   1    -0.07  -0.04   0.13    -0.00  -0.01  -0.01    -0.02  -0.03  -0.00
    16   1     0.06   0.18  -0.13     0.02  -0.00  -0.01     0.02   0.00  -0.01
    17   1     0.01  -0.05  -0.07    -0.00   0.00  -0.00     0.10   0.19   0.34
    18   1    -0.00  -0.10  -0.06     0.00  -0.01  -0.01    -0.04   0.36   0.16
    19   1    -0.04  -0.07  -0.01    -0.01  -0.00  -0.01     0.27   0.30   0.13
    20   1    -0.01   0.04  -0.04    -0.00   0.00  -0.00     0.25  -0.04   0.31
    21   1    -0.08   0.05  -0.03    -0.01   0.00  -0.00     0.30  -0.22   0.09
    22   1    -0.10   0.02   0.00    -0.01   0.00  -0.00     0.38   0.05   0.10
    23   1     0.34   0.03   0.11    -0.13   0.03  -0.04     0.04   0.00   0.01
    24   1     0.13  -0.02   0.03    -0.06  -0.03  -0.00     0.02  -0.00   0.00
    25   1     0.03  -0.02  -0.01     0.15   0.57   0.09     0.01   0.00  -0.00
    26   1    -0.01   0.00   0.00    -0.08   0.44  -0.19    -0.00   0.01  -0.00
    27   1     0.02  -0.01   0.04     0.27   0.40  -0.34     0.01   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.7852              1471.4746              1480.2533
 Red. masses --      1.2293                 1.0565                 1.0472
 Frc consts  --      1.4641                 1.3478                 1.3519
 IR Inten    --      3.1354                 9.9414                 9.7098
 RamAct Fr= 1--      0.6912                 3.6045                 4.0724
  Dep-P Fr= 1--      0.7083                 0.7456                 0.7495
  Dep-U Fr= 1--      0.8292                 0.8543                 0.8568
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0955                 0.5132                 0.5816
 AlphaG Fr= 1--      0.0033                 0.0030                -0.0020
 Gamma2 Fr= 1--      0.1976                 0.6868                 1.0328
 Delta2 Fr= 1--     -0.0682                 0.3901                 0.8981
 Raman1 Fr= 1--       2.765                 14.418                 16.290
 ROA1   Fr= 1--      16.785                 78.416                127.887
 CID1   Fr= 1--       6.071                  5.439                  7.851
 Raman2 Fr= 1--       1.146                  6.159                  6.979
 ROA2   Fr= 1--       5.287                 13.363                 17.602
 CID2   Fr= 1--       4.612                  2.170                  2.522
 Raman3 Fr= 1--       2.293                 12.317                 13.957
 ROA3   Fr= 1--      16.785                 78.416                127.887
 CID3   Fr= 1--       7.321                  6.366                  9.163
 RC180  Fr= 1--       0.658                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00  -0.01  -0.02
     7   8    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.09   0.03  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.01     0.02  -0.02  -0.05
    12   1     0.01   0.03   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.05   0.02   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    17   1    -0.05  -0.19  -0.34     0.02  -0.00   0.00     0.04   0.00   0.02
    18   1     0.03  -0.34  -0.16     0.01   0.02  -0.01     0.03   0.03  -0.04
    19   1    -0.24  -0.32  -0.09    -0.00  -0.01  -0.00    -0.03  -0.01  -0.02
    20   1     0.24  -0.11   0.33    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    21   1     0.31  -0.23   0.10    -0.01  -0.00   0.01    -0.02  -0.02   0.03
    22   1     0.42   0.01   0.05    -0.00   0.00   0.01     0.01   0.02   0.02
    23   1    -0.01   0.01  -0.00    -0.05   0.00  -0.01     0.00  -0.00  -0.01
    24   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.51  -0.33  -0.14    -0.46  -0.18   0.02
    26   1    -0.00   0.00  -0.00    -0.07   0.40  -0.15    -0.17   0.24   0.66
    27   1     0.00  -0.00   0.00     0.36  -0.06   0.53     0.40   0.23   0.07
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1484.0101              1487.3344              1493.6611
 Red. masses --      1.0685                 1.0465                 1.0646
 Frc consts  --      1.3865                 1.3640                 1.3994
 IR Inten    --      0.5633                 0.8839                 8.2058
 RamAct Fr= 1--      3.9076                 7.8602                 4.0897
  Dep-P Fr= 1--      0.6428                 0.7285                 0.6029
  Dep-U Fr= 1--      0.7826                 0.8429                 0.7522
 Alpha2 Fr= 1--      0.0076                 0.0029                 0.0111
 Beta2  Fr= 1--      0.5097                 1.1043                 0.5127
 AlphaG Fr= 1--      0.0123                 0.0034                 0.0157
 Gamma2 Fr= 1--     -1.5548                -0.4858                 0.8338
 Delta2 Fr= 1--     -1.2723                 0.1058                 0.3505
 Raman1 Fr= 1--      15.630                 31.441                 16.359
 ROA1   Fr= 1--    -189.978                -43.253                 91.261
 CID1   Fr= 1--     -12.154                 -1.376                  5.579
 Raman2 Fr= 1--       6.116                 13.251                  6.153
 ROA2   Fr= 1--     -27.137                -12.507                 17.207
 CID2   Fr= 1--      -4.437                 -0.944                  2.797
 Raman3 Fr= 1--      12.232                 26.502                 12.306
 ROA3   Fr= 1--    -189.978                -43.253                 91.261
 CID3   Fr= 1--     -15.531                 -1.632                  7.416
 RC180  Fr= 1--       0.565                  0.686                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.01    -0.02  -0.01   0.03    -0.02   0.02  -0.01
     2   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.01   0.03  -0.00     0.02   0.00  -0.04     0.01  -0.03  -0.01
     9   6     0.01   0.01  -0.05    -0.00  -0.00   0.01     0.02   0.01  -0.04
    10   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.02  -0.01
    11   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    12   1     0.15  -0.06   0.41    -0.03   0.01  -0.08     0.12  -0.02   0.33
    13   1    -0.35  -0.14   0.23     0.07   0.03  -0.05    -0.29  -0.15   0.20
    14   1     0.01   0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.01
    15   1     0.13   0.18   0.16    -0.04  -0.06  -0.06     0.11   0.15   0.13
    16   1    -0.16   0.23  -0.01     0.05  -0.08   0.01    -0.13   0.19  -0.01
    17   1    -0.18   0.12   0.16     0.33   0.01   0.12     0.27  -0.15  -0.18
    18   1     0.06  -0.11  -0.14     0.22   0.21  -0.34    -0.06   0.20   0.17
    19   1    -0.11   0.25  -0.19    -0.21  -0.06  -0.16     0.15  -0.30   0.25
    20   1    -0.11  -0.33   0.00    -0.20  -0.10  -0.21     0.01   0.29  -0.11
    21   1    -0.22   0.04   0.10    -0.20  -0.22   0.43     0.13  -0.12   0.08
    22   1     0.19  -0.09  -0.10     0.11   0.26   0.32    -0.15   0.19   0.22
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.00
    24   1    -0.02   0.00  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    25   1     0.01   0.00  -0.00     0.03   0.03   0.00    -0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.02  -0.04  -0.06     0.00  -0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.05  -0.02  -0.02    -0.00   0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1503.3571              1506.6202              1510.6513
 Red. masses --      1.0809                 1.0728                 1.0683
 Frc consts  --      1.4394                 1.4347                 1.4364
 IR Inten    --      1.0366                12.3763                 6.4405
 RamAct Fr= 1--      9.3478                 4.5349                 0.5915
  Dep-P Fr= 1--      0.7278                 0.7400                 0.2568
  Dep-U Fr= 1--      0.8424                 0.8506                 0.4087
 Alpha2 Fr= 1--      0.0036                 0.0008                 0.0069
 Beta2  Fr= 1--      1.3125                 0.6429                 0.0403
 AlphaG Fr= 1--     -0.0005                -0.0051                 0.0053
 Gamma2 Fr= 1--      1.7389                -0.2861                -0.1298
 Delta2 Fr= 1--     -0.3267                 0.7982                 0.2452
 Raman1 Fr= 1--      37.391                 18.139                  2.366
 ROA1   Fr= 1--     156.481                 -1.918                 -4.614
 CID1   Fr= 1--       4.185                 -0.106                 -1.950
 Raman2 Fr= 1--      15.750                  7.714                  0.483
 ROA2   Fr= 1--      44.348                -13.251                 -5.077
 CID2   Fr= 1--       2.816                 -1.718                -10.500
 Raman3 Fr= 1--      31.499                 15.429                  0.967
 ROA3   Fr= 1--     156.481                 -1.918                 -4.614
 CID3   Fr= 1--       4.968                 -0.124                 -4.771
 RC180  Fr= 1--       0.685                  0.701                 -0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.02    -0.02  -0.01   0.02
     2   6    -0.02   0.04   0.01    -0.00  -0.02   0.02    -0.02  -0.01   0.02
     3   6     0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.02   0.01    -0.02  -0.02  -0.00    -0.01  -0.00   0.03
     9   6    -0.01  -0.02   0.03    -0.01  -0.01   0.02     0.01   0.02  -0.03
    10   6     0.01  -0.04  -0.01     0.00  -0.05  -0.01    -0.00   0.03   0.01
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.09   0.04  -0.19    -0.07   0.02  -0.18     0.09  -0.02   0.22
    13   1     0.17   0.08  -0.11     0.15   0.06  -0.11    -0.19  -0.09   0.12
    14   1    -0.02   0.00  -0.00    -0.03  -0.02  -0.01     0.02  -0.00  -0.00
    15   1     0.16   0.20   0.17     0.22   0.28   0.23    -0.12  -0.16  -0.15
    16   1    -0.18   0.26  -0.01    -0.24   0.35  -0.01     0.15  -0.21   0.01
    17   1     0.36  -0.13  -0.10    -0.01   0.10   0.16     0.36   0.02   0.13
    18   1     0.04   0.27   0.01     0.15  -0.04  -0.28     0.22   0.25  -0.32
    19   1     0.03  -0.29   0.13    -0.21   0.14  -0.24    -0.20  -0.09  -0.14
    20   1    -0.01  -0.36   0.13     0.15   0.35   0.04     0.15   0.10   0.14
    21   1    -0.19   0.16  -0.09     0.29  -0.05  -0.14     0.15   0.17  -0.33
    22   1     0.20  -0.23  -0.26    -0.20   0.07   0.07    -0.14  -0.19  -0.24
    23   1    -0.02   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    24   1    -0.04   0.00  -0.00    -0.05   0.00  -0.01     0.03  -0.00   0.01
    25   1     0.00   0.01   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01  -0.01
    27   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.02  -0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.6931              1736.4569              3019.2955
 Red. masses --      5.8040                 9.8639                 1.0356
 Frc consts  --      9.8327                17.5237                 5.5625
 IR Inten    --     71.1314               276.3027                21.2172
 RamAct Fr= 1--    381.8822               232.3596                 6.9427
  Dep-P Fr= 1--      0.2898                 0.3151                 0.3587
  Dep-U Fr= 1--      0.4493                 0.4793                 0.5280
 Alpha2 Fr= 1--      4.0374                 2.2764                 0.0592
 Beta2  Fr= 1--     28.5998                18.5600                 0.6109
 AlphaG Fr= 1--      1.4703                 0.0053                 0.0703
 Gamma2 Fr= 1--      9.9572                -2.9922                -1.2122
 Delta2 Fr= 1--     -0.0600                 1.1014                -0.9342
 Raman1 Fr= 1--    1527.529                929.439                 27.771
 ROA1   Fr= 1--     953.971               -252.008               -146.269
 CID1   Fr= 1--       0.625                 -0.271                 -5.267
 Raman2 Fr= 1--     343.197                222.720                  7.331
 ROA2   Fr= 1--     239.453                -80.624                -21.621
 CID2   Fr= 1--       0.698                 -0.362                 -2.949
 Raman3 Fr= 1--     686.395                445.439                 14.663
 ROA3   Fr= 1--     953.971               -252.008               -146.269
 CID3   Fr= 1--       1.390                 -0.566                 -9.976
 RC180  Fr= 1--      -0.101                 -0.041                  0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
     2   6    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.40  -0.17   0.18    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     5   6    -0.38   0.17  -0.17    -0.06   0.04  -0.03     0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.48  -0.43   0.30    -0.00   0.00  -0.00
     7   8     0.05  -0.02   0.02    -0.31   0.28  -0.19     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    12   1    -0.01   0.01  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.00
    13   1     0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1    -0.19  -0.03   0.01     0.00   0.01   0.00     0.03  -0.02   0.11
    15   1    -0.01  -0.03   0.02    -0.02  -0.02  -0.01    -0.00   0.00  -0.00
    16   1     0.01   0.06  -0.04     0.01  -0.02  -0.00     0.00   0.00   0.00
    17   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.05  -0.33   0.24
    18   1     0.01   0.00  -0.01    -0.00   0.00   0.01    -0.23   0.06  -0.12
    19   1    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.25  -0.07  -0.26
    20   1     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.32   0.11   0.32
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.12  -0.31  -0.21
    22   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.07   0.38  -0.30
    23   1    -0.52  -0.12  -0.10    -0.01  -0.01  -0.00     0.00   0.01  -0.00
    24   1     0.43   0.16   0.05     0.29  -0.01   0.08     0.00  -0.00   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.02     0.00  -0.00   0.00
    26   1    -0.01  -0.01   0.00     0.02  -0.28   0.11    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.12  -0.17     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3023.1097              3027.0216              3040.6336
 Red. masses --      1.0489                 1.0694                 1.0372
 Frc consts  --      5.6477                 5.7734                 5.6499
 IR Inten    --     22.2480                38.9926                 3.3599
 RamAct Fr= 1--    138.2179               286.9282               138.8445
  Dep-P Fr= 1--      0.1216                 0.0500                 0.0089
  Dep-U Fr= 1--      0.2168                 0.0953                 0.0176
 Alpha2 Fr= 1--      2.2947                 5.6671                 3.0223
 Beta2  Fr= 1--      4.9938                 4.5585                 0.4062
 AlphaG Fr= 1--      0.6618                -3.2109                 0.8716
 Gamma2 Fr= 1--      9.4505                -9.6002                 0.2195
 Delta2 Fr= 1--      7.0840               -18.1054                -1.8322
 Raman1 Fr= 1--     552.872               1147.713                555.378
 ROA1   Fr= 1--    1133.938              -1500.989                -37.558
 CID1   Fr= 1--       2.051                 -1.308                 -0.068
 Raman2 Fr= 1--      59.925                 54.702                  4.874
 ROA2   Fr= 1--     170.140                -85.561                 19.926
 CID2   Fr= 1--       2.839                 -1.564                  4.088
 Raman3 Fr= 1--     119.851                109.404                  9.748
 ROA3   Fr= 1--    1133.938              -1500.989                -37.558
 CID3   Fr= 1--       9.461                -13.720                 -3.853
 RC180  Fr= 1--      -0.566                 -0.809                 -0.965
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01     0.00   0.02   0.01     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.04    -0.02   0.01  -0.07     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.02
    12   1     0.04   0.01  -0.01    -0.06  -0.02   0.01     0.00   0.00  -0.00
    13   1    -0.02  -0.00  -0.02     0.04   0.00   0.05    -0.00   0.00  -0.00
    14   1     0.14  -0.09   0.49     0.22  -0.14   0.78    -0.01   0.00  -0.02
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    16   1    -0.02  -0.01  -0.02    -0.06  -0.04  -0.06     0.00   0.00   0.00
    17   1     0.06   0.38  -0.27    -0.03  -0.19   0.14     0.00   0.00  -0.00
    18   1     0.27  -0.07   0.14    -0.14   0.04  -0.07     0.00  -0.00   0.00
    19   1    -0.29   0.08   0.29     0.14  -0.04  -0.15    -0.00   0.00   0.00
    20   1    -0.19   0.06   0.19     0.18  -0.06  -0.18    -0.00   0.00   0.00
    21   1    -0.08  -0.21  -0.14     0.06   0.16   0.11    -0.00  -0.00  -0.00
    22   1     0.04   0.23  -0.18    -0.03  -0.19   0.15     0.00   0.00  -0.00
    23   1     0.00   0.02  -0.00     0.01   0.05  -0.01     0.01   0.02  -0.01
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.10  -0.07   0.63
    26   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.38  -0.05  -0.08
    27   1     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.37  -0.44  -0.33
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3054.5170              3075.2246              3077.2020
 Red. masses --      1.0577                 1.1006                 1.0653
 Frc consts  --      5.8145                 6.1326                 5.9436
 IR Inten    --     33.7667                 5.6275                16.4610
 RamAct Fr= 1--    160.1265                20.9652               138.9656
  Dep-P Fr= 1--      0.0830                 0.7487                 0.0566
  Dep-U Fr= 1--      0.1533                 0.8563                 0.1070
 Alpha2 Fr= 1--      2.9219                 0.0005                 2.7024
 Beta2  Fr= 1--      4.0915                 2.9920                 2.4794
 AlphaG Fr= 1--     -0.7102                -0.0146                 1.3907
 Gamma2 Fr= 1--      0.5274                -1.7369                -9.5501
 Delta2 Fr= 1--     -4.1749                -2.9571                -7.9445
 Raman1 Fr= 1--     640.506                 83.861                555.862
 ROA1   Fr= 1--     -82.965               -261.370              -1171.038
 CID1   Fr= 1--      -0.130                 -3.117                 -2.107
 Raman2 Fr= 1--      49.098                 35.904                 29.752
 ROA2   Fr= 1--      46.057                -18.030               -165.647
 CID2   Fr= 1--       0.938                 -0.502                 -5.568
 Raman3 Fr= 1--      98.196                 71.809                 59.505
 ROA3   Fr= 1--     -82.965               -261.370              -1171.038
 CID3   Fr= 1--      -0.845                 -3.640                -19.680
 RC180  Fr= 1--      -0.693                  0.713                 -0.786
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.03   0.07    -0.01  -0.00   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.02   0.01  -0.03     0.00   0.02   0.00
     9   6    -0.02  -0.02   0.06    -0.01  -0.00  -0.00     0.01   0.00   0.01
    10   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.01  -0.06  -0.03
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.65   0.22  -0.17     0.05   0.02  -0.01    -0.07  -0.03   0.02
    13   1    -0.42   0.00  -0.54     0.03   0.00   0.05    -0.11   0.00  -0.15
    14   1     0.01  -0.01   0.05     0.00   0.00   0.00     0.02  -0.02   0.08
    15   1     0.06  -0.05   0.02     0.05  -0.04   0.01    -0.38   0.31  -0.11
    16   1    -0.03  -0.02  -0.03    -0.08  -0.05  -0.07     0.55   0.33   0.48
    17   1    -0.01  -0.05   0.03     0.07   0.49  -0.33     0.01   0.07  -0.05
    18   1    -0.01   0.00  -0.01    -0.04   0.00   0.00    -0.01   0.00  -0.00
    19   1     0.02  -0.01  -0.02     0.44  -0.15  -0.44     0.08  -0.03  -0.08
    20   1     0.02  -0.01  -0.02    -0.22   0.08   0.22     0.04  -0.01  -0.03
    21   1     0.01   0.03   0.02     0.00   0.00  -0.01    -0.04  -0.10  -0.07
    22   1    -0.01  -0.04   0.03    -0.04  -0.24   0.19    -0.01  -0.08   0.07
    23   1     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.1453              3088.6110              3096.4145
 Red. masses --      1.1011                 1.1004                 1.0993
 Frc consts  --      6.1626                 6.1848                 6.2098
 IR Inten    --     48.5628                33.2501                 8.0798
 RamAct Fr= 1--    128.6621                71.1126                34.5995
  Dep-P Fr= 1--      0.7174                 0.7182                 0.7463
  Dep-U Fr= 1--      0.8354                 0.8360                 0.8547
 Alpha2 Fr= 1--      0.0724                 0.0390                 0.0022
 Beta2  Fr= 1--     17.9150                 9.9081                 4.9288
 AlphaG Fr= 1--      0.2169                 0.0243                 0.0590
 Gamma2 Fr= 1--     -0.6702                 6.8565                 3.6141
 Delta2 Fr= 1--      9.5387                -1.7919                 3.2339
 Raman1 Fr= 1--     514.648                284.450                138.398
 ROA1   Fr= 1--     240.896                600.880                450.432
 CID1   Fr= 1--       0.468                  2.112                  3.255
 Raman2 Fr= 1--     214.980                118.897                 59.146
 ROA2   Fr= 1--     -92.396                178.890                 60.866
 CID2   Fr= 1--      -0.430                  1.505                  1.029
 Raman3 Fr= 1--     429.961                237.794                118.292
 ROA3   Fr= 1--     240.896                600.880                450.432
 CID3   Fr= 1--       0.560                  2.527                  3.808
 RC180  Fr= 1--       0.671                  0.672                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.04  -0.03   0.06    -0.00  -0.08  -0.05     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.03  -0.08
    12   1    -0.02  -0.00   0.00    -0.08  -0.03   0.02    -0.02  -0.01   0.00
    13   1    -0.03   0.00  -0.04    -0.06   0.00  -0.08    -0.01   0.00  -0.01
    14   1    -0.00   0.00  -0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    15   1     0.02  -0.01   0.00    -0.08   0.06  -0.02     0.01  -0.01   0.00
    16   1    -0.01  -0.01  -0.01     0.08   0.05   0.07    -0.00  -0.00  -0.00
    17   1     0.03   0.25  -0.17    -0.00  -0.03   0.02    -0.00  -0.01   0.00
    18   1    -0.02  -0.00   0.00     0.07  -0.02   0.04     0.03  -0.01   0.01
    19   1     0.23  -0.08  -0.23     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    20   1     0.42  -0.15  -0.40    -0.30   0.08   0.28    -0.00   0.00   0.00
    21   1     0.02   0.07   0.06     0.27   0.65   0.44    -0.00  -0.00  -0.00
    22   1     0.07   0.51  -0.39     0.04   0.20  -0.18    -0.00  -0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.13  -0.09   0.69
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.47   0.32
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.9929              3100.1401              3123.9129
 Red. masses --      1.1026                 1.1027                 1.1064
 Frc consts  --      6.2308                 6.2441                 6.3612
 IR Inten    --     18.7827                34.3250                33.5559
 RamAct Fr= 1--     44.9130                68.2302                48.4374
  Dep-P Fr= 1--      0.4636                 0.6588                 0.7327
  Dep-U Fr= 1--      0.6335                 0.7943                 0.8457
 Alpha2 Fr= 1--      0.2604                 0.1112                 0.0143
 Beta2  Fr= 1--      4.7420                 9.0323                 6.8276
 AlphaG Fr= 1--      0.4203                 0.1066                -0.0568
 Gamma2 Fr= 1--    -54.9617                51.9436                18.6009
 Delta2 Fr= 1--    -30.7552                32.6195                 8.8039
 Raman1 Fr= 1--     179.652                272.921                193.750
 ROA1   Fr= 1--   -6260.493               6030.408               2067.409
 CID1   Fr= 1--     -34.848                 22.096                 10.671
 Raman2 Fr= 1--      56.904                108.388                 81.931
 ROA2   Fr= 1--   -1073.040                985.690                375.989
 CID2   Fr= 1--     -18.857                  9.094                  4.589
 Raman3 Fr= 1--     113.808                216.775                163.863
 ROA3   Fr= 1--   -6260.493               6030.408               2067.409
 CID3   Fr= 1--     -55.009                 27.819                 12.617
 RC180  Fr= 1--       0.267                  0.589                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03  -0.02    -0.05   0.03  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.01   0.02    -0.06  -0.01  -0.02    -0.03  -0.00  -0.01
    10   6    -0.01   0.01  -0.00     0.02  -0.02   0.01    -0.08   0.02  -0.04
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.41  -0.14   0.12     0.43   0.15  -0.13     0.18   0.06  -0.05
    13   1    -0.25   0.01  -0.34     0.28  -0.01   0.38     0.15  -0.00   0.21
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.04
    15   1     0.18  -0.16   0.05    -0.22   0.20  -0.06     0.55  -0.49   0.15
    16   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.36   0.25   0.33
    17   1    -0.04  -0.17   0.12    -0.04  -0.17   0.12    -0.00  -0.01   0.01
    18   1     0.57  -0.13   0.30     0.53  -0.12   0.28     0.03  -0.01   0.02
    19   1     0.16  -0.05  -0.18     0.13  -0.04  -0.15     0.00  -0.00  -0.01
    20   1     0.01  -0.00  -0.01     0.03  -0.01  -0.03    -0.01   0.00   0.01
    21   1    -0.04  -0.09  -0.06     0.00   0.01   0.01     0.02   0.04   0.03
    22   1    -0.01  -0.05   0.04     0.00   0.02  -0.02     0.00   0.01  -0.01
    23   1    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.02   0.01
    24   1     0.00   0.02  -0.01    -0.00  -0.02   0.01     0.01   0.07  -0.02
    25   1    -0.00   0.00  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.1454              3146.2521              3179.7836
 Red. masses --      1.0877                 1.1008                 1.0881
 Frc consts  --      6.3153                 6.4203                 6.4823
 IR Inten    --     10.8260                 9.9266                 6.5280
 RamAct Fr= 1--     75.4997                77.1695                45.3458
  Dep-P Fr= 1--      0.1601                 0.6179                 0.2008
  Dep-U Fr= 1--      0.2760                 0.7638                 0.3344
 Alpha2 Fr= 1--      1.1375                 0.1868                 0.6146
 Beta2  Fr= 1--      3.4732                 9.8236                 2.5273
 AlphaG Fr= 1--      0.3827                -0.1460                -0.1649
 Gamma2 Fr= 1--      1.9666                 0.1724                -2.9620
 Delta2 Fr= 1--      3.4203                -2.8297                -0.2093
 Raman1 Fr= 1--     301.999                308.678                181.383
 ROA1   Fr= 1--     298.243                -73.995               -291.053
 CID1   Fr= 1--       0.988                 -0.240                 -1.605
 Raman2 Fr= 1--      41.679                117.884                 30.327
 ROA2   Fr= 1--      19.835                 26.776                -69.414
 CID2   Fr= 1--       0.476                  0.227                 -2.289
 Raman3 Fr= 1--      83.358                235.767                 60.654
 ROA3   Fr= 1--     298.243                -73.995               -291.053
 CID3   Fr= 1--       3.578                 -0.314                 -4.799
 RC180  Fr= 1--      -0.448                  0.528                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.03
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.00  -0.03     0.00   0.00   0.00
    12   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.01  -0.05     0.00  -0.00   0.01     0.00  -0.00   0.00
    15   1     0.03  -0.02   0.01    -0.01   0.00  -0.00    -0.06   0.05  -0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    17   1     0.00   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.19   0.91  -0.29    -0.03  -0.15   0.05     0.02   0.08  -0.03
    24   1    -0.01  -0.07   0.02     0.00   0.03  -0.01     0.15   0.93  -0.31
    25   1     0.00  -0.00   0.03     0.03  -0.03   0.27    -0.00   0.00  -0.00
    26   1     0.16   0.03   0.03     0.88   0.14   0.18    -0.01  -0.00  -0.00
    27   1     0.01  -0.02  -0.01     0.13  -0.18  -0.13    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   811.577443283.795113606.96683
           X            0.99989   0.01392  -0.00590
           Y           -0.01391   0.99990   0.00197
           Z            0.00593  -0.00189   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10672     0.02638     0.02401
 Rotational constants (GHZ):           2.22374     0.54959     0.50035
 Zero-point vibrational energy     622607.3 (Joules/Mol)
                                  148.80672 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.50    92.26   111.56   184.49   212.87
          (Kelvin)            243.53   341.07   365.48   387.46   398.78
                              442.94   499.16   536.85   637.28   676.21
                              762.38   821.69   852.60   924.94  1056.71
                             1157.59  1177.97  1236.32  1284.00  1307.99
                             1355.32  1376.61  1412.18  1423.26  1452.51
                             1475.04  1483.11  1512.56  1585.02  1592.92
                             1676.27  1727.86  1765.37  1789.99  1826.86
                             1838.72  1850.49  1864.19  1868.70  1939.92
                             1973.75  1998.89  2021.84  2045.63  2117.12
                             2129.75  2135.16  2139.94  2149.05  2163.00
                             2167.69  2173.49  2439.72  2498.37  4344.09
                             4349.58  4355.21  4374.79  4394.77  4424.56
                             4427.41  4434.52  4443.82  4455.05  4455.88
                             4460.41  4494.61  4516.53  4526.75  4575.00
 
 Zero-point correction=                           0.237139 (Hartree/Particle)
 Thermal correction to Energy=                    0.249545
 Thermal correction to Enthalpy=                  0.250490
 Thermal correction to Gibbs Free Energy=         0.198297
 Sum of electronic and zero-point Energies=           -465.872506
 Sum of electronic and thermal Energies=              -465.860099
 Sum of electronic and thermal Enthalpies=            -465.859155
 Sum of electronic and thermal Free Energies=         -465.911347
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.592             46.304            109.848
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.642
 Vibrational            154.815             40.342             38.238
 Vibration     1          0.594              1.983              5.558
 Vibration     2          0.597              1.971              4.326
 Vibration     3          0.599              1.964              3.952
 Vibration     4          0.611              1.925              2.972
 Vibration     5          0.617              1.905              2.698
 Vibration     6          0.625              1.880              2.444
 Vibration     7          0.656              1.784              1.825
 Vibration     8          0.665              1.756              1.702
 Vibration     9          0.674              1.730              1.601
 Vibration    10          0.678              1.716              1.551
 Vibration    11          0.698              1.659              1.374
 Vibration    12          0.725              1.582              1.180
 Vibration    13          0.745              1.527              1.067
 Vibration    14          0.803              1.376              0.817
 Vibration    15          0.827              1.317              0.738
 Vibration    16          0.885              1.184              0.587
 Vibration    17          0.927              1.094              0.502
 Vibration    18          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.616212D-91        -91.210270       -210.019407
 Total V=0       0.734210D+18         17.865820         41.137572
 Vib (Bot)       0.752882-105       -105.123273       -242.055281
 Vib (Bot)    1  0.601671D+01          0.779359          1.794540
 Vib (Bot)    2  0.321890D+01          0.507708          1.169040
 Vib (Bot)    3  0.265710D+01          0.424408          0.977236
 Vib (Bot)    4  0.159060D+01          0.201562          0.464114
 Vib (Bot)    5  0.137132D+01          0.137140          0.315776
 Vib (Bot)    6  0.119093D+01          0.075885          0.174731
 Vib (Bot)    7  0.828255D+00         -0.081836         -0.188435
 Vib (Bot)    8  0.766842D+00         -0.115294         -0.265474
 Vib (Bot)    9  0.717905D+00         -0.143933         -0.331418
 Vib (Bot)   10  0.694701D+00         -0.158202         -0.364273
 Vib (Bot)   11  0.614984D+00         -0.211136         -0.486159
 Vib (Bot)   12  0.532861D+00         -0.273386         -0.629494
 Vib (Bot)   13  0.486879D+00         -0.312579         -0.719740
 Vib (Bot)   14  0.389378D+00         -0.409629         -0.943205
 Vib (Bot)   15  0.358890D+00         -0.445039         -1.024739
 Vib (Bot)   16  0.301855D+00         -0.520202         -1.197809
 Vib (Bot)   17  0.269193D+00         -0.569936         -1.312326
 Vib (Bot)   18  0.253898D+00         -0.595341         -1.370822
 Vib (V=0)       0.897050D+04          3.952817          9.101697
 Vib (V=0)    1  0.653745D+01          0.815408          1.877546
 Vib (V=0)    2  0.375750D+01          0.574899          1.323754
 Vib (V=0)    3  0.320374D+01          0.505657          1.164317
 Vib (V=0)    4  0.216734D+01          0.335927          0.773501
 Vib (V=0)    5  0.195963D+01          0.292175          0.672757
 Vib (V=0)    6  0.179163D+01          0.253248          0.583125
 Vib (V=0)    7  0.146747D+01          0.166570          0.383542
 Vib (V=0)    8  0.141545D+01          0.150894          0.347447
 Vib (V=0)    9  0.137486D+01          0.138260          0.318355
 Vib (V=0)   10  0.135593D+01          0.132236          0.304485
 Vib (V=0)   11  0.129259D+01          0.111462          0.256651
 Vib (V=0)   12  0.123071D+01          0.090157          0.207594
 Vib (V=0)   13  0.119789D+01          0.078417          0.180562
 Vib (V=0)   14  0.113373D+01          0.054510          0.125514
 Vib (V=0)   15  0.111547D+01          0.047457          0.109275
 Vib (V=0)   16  0.108405D+01          0.035050          0.080706
 Vib (V=0)   17  0.106786D+01          0.028514          0.065657
 Vib (V=0)   18  0.106077D+01          0.025622          0.058996
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.110986D+07          6.045270         13.919748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001463   -0.000001274   -0.000001383
      2        6          -0.000002203    0.000003291    0.000008605
      3        6          -0.000001508   -0.000003767   -0.000009967
      4        6          -0.000000082    0.000000268   -0.000002699
      5        6          -0.000001455    0.000000084    0.000004146
      6        6           0.000000556   -0.000001081   -0.000006309
      7        8           0.000001566   -0.000001458   -0.000005002
      8        6           0.000001518   -0.000001582    0.000001446
      9        6           0.000001143   -0.000001528   -0.000002151
     10        6           0.000003553    0.000001693    0.000004543
     11        6          -0.000002702    0.000005116    0.000011505
     12        1          -0.000000364   -0.000001583    0.000001457
     13        1          -0.000000772    0.000000905    0.000000179
     14        1           0.000000525    0.000001726    0.000001307
     15        1           0.000000946   -0.000001239   -0.000002657
     16        1          -0.000000710    0.000001368   -0.000001011
     17        1           0.000000119    0.000000897    0.000001967
     18        1          -0.000000138   -0.000000133    0.000000591
     19        1           0.000000013   -0.000001073    0.000002184
     20        1          -0.000000457   -0.000000111    0.000002309
     21        1          -0.000000789    0.000000614    0.000001416
     22        1           0.000000004    0.000000086    0.000002122
     23        1          -0.000000071    0.000000363   -0.000000093
     24        1          -0.000000617   -0.000000241   -0.000000849
     25        1           0.000001085   -0.000002093   -0.000004450
     26        1          -0.000000300   -0.000000223   -0.000001733
     27        1          -0.000000325    0.000000975   -0.000005472
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011505 RMS     0.000002800
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163171D+03 -0.622358D+01  0.764306D+01
      2  -0.622358D+01  0.117038D+03 -0.412760D+01
      3   0.764306D+01 -0.412760D+01  0.101706D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.394442D+01 -0.362384D+01 -0.806703D+01
      2   0.450935D+02 -0.165650D+02 -0.283765D+02
      3  -0.395370D+00  0.200608D+02  0.135667D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.520329D+02 -0.177352D+02  0.407677D+02
      2  -0.135504D+02  0.189257D+02 -0.138938D+02
      3  -0.384825D+02 -0.119041D+01 -0.268739D+02
      4   0.458320D+01 -0.350640D+02 -0.373325D+02
      5   0.324708D+02 -0.372129D+02 -0.736458D+02
      6  -0.156685D+02  0.196935D+01  0.226574D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.135833D+01 -0.246945D+00 -0.448072D+01  0.733402D+00  0.578513D+00
      2  -0.246945D+00  0.592775D+00  0.248957D+01  0.578513D+00 -0.295534D+01
      3  -0.448072D+01  0.248957D+01  0.154189D+01  0.231988D+01  0.317028D+01
                 6             7             8             9            10 
      1   0.231988D+01 -0.574434D+01  0.272120D+01  0.176835D+01 -0.158864D+02
      2   0.317028D+01  0.272120D+01  0.330621D+01 -0.174997D+01  0.256148D+01
      3  -0.796570D+00  0.176835D+01 -0.174997D+01 -0.208842D+01  0.481406D+01
                11            12            13            14            15 
      1   0.256148D+01  0.481406D+01  0.906279D+01 -0.291685D+01 -0.253455D+01
      2  -0.201732D+01 -0.221786D+01 -0.291685D+01  0.385005D+01 -0.319394D+01
      3  -0.221786D+01 -0.102949D+01 -0.253455D+01 -0.319394D+01  0.151525D+01
                16            17            18            19            20 
      1   0.181133D+02 -0.371636D+01 -0.322956D+01  0.332393D+02 -0.426329D+01
      2  -0.371636D+01 -0.271823D+01  0.174463D+01 -0.426329D+01  0.262635D+01
      3  -0.322956D+01  0.174463D+01  0.546799D+00 -0.621029D+00  0.874497D+00
                21            22            23            24            25 
      1  -0.621029D+00 -0.116282D+02  0.372495D+01  0.155234D+01 -0.562574D+01
      2   0.874497D+00  0.372495D+01  0.173895D+01 -0.184400D+01  0.209538D+01
      3   0.202551D+01  0.155234D+01 -0.184400D+01 -0.218082D+01  0.562824D+01
                26            27            28            29            30 
      1   0.209538D+01  0.562824D+01 -0.497285D+02  0.572241D+01 -0.490273D+01
      2  -0.241131D+01 -0.244170D+01  0.572241D+01 -0.229969D+01  0.888834D-01
      3  -0.244170D+01  0.478540D+01 -0.490273D+01  0.888834D-01 -0.216758D+01
                31            32            33            34            35 
      1   0.146051D+02 -0.543564D+01  0.131351D+01 -0.151794D+02  0.117837D+00
      2  -0.543564D+01 -0.151593D+01  0.118300D+01  0.117837D+00  0.144051D+01
      3   0.131351D+01  0.118300D+01  0.833535D+00 -0.705971D+01  0.905796D+00
                36            37            38            39            40 
      1  -0.705971D+01  0.496709D+02 -0.717314D+01  0.777743D+01 -0.103398D+02
      2   0.905796D+00 -0.717314D+01  0.148620D+01 -0.555469D+00  0.416414D+01
      3  -0.529466D+01  0.777743D+01 -0.555469D+00  0.280636D+01 -0.576168D+00
                41            42            43            44            45 
      1   0.416414D+01 -0.576168D+00  0.158939D+02 -0.110849D+01  0.622347D+01
      2   0.201261D+01 -0.187709D+01 -0.110849D+01 -0.214765D+01 -0.101986D+01
      3  -0.187709D+01 -0.111388D+01  0.622347D+01 -0.101986D+01  0.303539D+01
                46            47            48            49            50 
      1  -0.361535D+02  0.676203D+01 -0.809910D+01  0.731050D+01 -0.336153D+01
      2   0.676203D+01 -0.185042D+01  0.216459D+01 -0.336153D+01 -0.130897D+01
      3  -0.809910D+01  0.216459D+01 -0.185575D+01  0.312376D+01  0.353110D-01
                51            52            53            54            55 
      1   0.312376D+01 -0.119749D+02  0.318929D+01 -0.298065D+01  0.296894D+02
      2   0.353110D-01  0.318929D+01  0.245405D+00  0.947704D+00 -0.618496D+01
      3   0.115020D+01 -0.298065D+01  0.947704D+00 -0.136283D+01  0.610668D+01
                56            57            58            59            60 
      1  -0.618496D+01  0.610668D+01 -0.199527D+02  0.667625D+01 -0.428328D+01
      2   0.311739D+01 -0.148138D+01  0.667625D+01 -0.541040D+01  0.218269D+01
      3  -0.148138D+01  0.263193D+01 -0.428328D+01  0.218269D+01 -0.223210D+01
                61            62            63            64            65 
      1   0.134464D+02 -0.222407D+01  0.669674D+01  0.236054D+01 -0.199759D+00
      2  -0.222407D+01  0.135155D+01 -0.270803D+01 -0.199759D+00  0.122070D+01
      3   0.669674D+01 -0.270803D+01  0.469683D+01 -0.422730D+01  0.256546D+01
                66            67            68            69            70 
      1  -0.422730D+01  0.796655D-01  0.217281D+01  0.239227D+01 -0.700560D+01
      2   0.256546D+01  0.217281D+01 -0.108267D+01  0.445211D+01  0.252902D+01
      3   0.879818D+00  0.239227D+01  0.445211D+01 -0.945582D+00  0.263039D+01
                71            72            73            74            75 
      1   0.252902D+01  0.263039D+01  0.564271D+01  0.200507D+01 -0.322568D+01
      2   0.414054D+01 -0.138334D+01  0.200507D+01  0.570420D+00 -0.165700D+01
      3  -0.138334D+01  0.103173D+01 -0.322568D+01 -0.165700D+01 -0.198484D+01
                76            77            78            79            80 
      1   0.320668D+01  0.657138D-01 -0.195788D+01 -0.404824D+01 -0.941504D+00
      2   0.657138D-01 -0.477577D+01  0.306977D+01 -0.941504D+00  0.276264D+01
      3  -0.195788D+01  0.306977D+01  0.929082D+00 -0.208203D+01  0.123021D+01
                81            82            83            84            85 
      1  -0.208203D+01  0.367929D+00  0.138872D+01  0.923235D+00  0.645633D+00
      2   0.123021D+01  0.138872D+01 -0.231018D+01  0.259327D+01 -0.239194D+01
      3  -0.119569D+01  0.923235D+00  0.259327D+01  0.259667D+01  0.221594D+01
                86            87            88            89            90 
      1  -0.239194D+01  0.221594D+01  0.116708D+00  0.359246D+01  0.258306D+01
      2   0.671503D-01  0.146919D+01  0.359246D+01  0.159708D+01 -0.818879D+00
      3   0.146919D+01 -0.491913D+00  0.258306D+01 -0.818879D+00 -0.138474D+01
                91            92            93            94            95 
      1  -0.799217D+01 -0.184271D+01 -0.206540D+01  0.424867D+00  0.345126D+01
      2  -0.184271D+01  0.326007D+01 -0.126187D+00  0.345126D+01  0.386743D+00
      3  -0.206540D+01 -0.126187D+00  0.145988D+01 -0.192694D+00 -0.142621D+01
                96            97            98            99           100 
      1  -0.192694D+00 -0.326462D+01 -0.376841D+00  0.406466D+00 -0.817303D+01
      2  -0.142621D+01 -0.376841D+00 -0.155358D+01 -0.198683D+01 -0.273081D+01
      3  -0.127738D+01  0.406466D+00 -0.198683D+01  0.427144D+01  0.337847D+01
               101           102           103           104           105 
      1  -0.273081D+01  0.337847D+01 -0.150610D+01 -0.186346D+01  0.938258D+00
      2  -0.238115D+01  0.129370D+01 -0.186346D+01 -0.133846D+01  0.689799D+00
      3   0.129370D+01 -0.221150D+01  0.938258D+00  0.689799D+00 -0.809282D+00
               106           107           108           109           110 
      1   0.130372D+01  0.868513D+00 -0.161801D+01  0.154969D+01 -0.400513D+00
      2   0.868513D+00  0.446111D+00 -0.962089D+00 -0.400513D+00  0.971474D+00
      3  -0.161801D+01 -0.962089D+00  0.193261D+01  0.148625D+01 -0.166084D+00
               111           112           113           114           115 
      1   0.148625D+01  0.211320D+00  0.196917D+00  0.134311D+00  0.108026D+01
      2  -0.166084D+00  0.196917D+00  0.179784D-01  0.544624D+00 -0.280342D-01
      3   0.296523D+01  0.134311D+00  0.544624D+00 -0.273241D+00  0.127438D+01
               116           117           118           119           120 
      1  -0.280342D-01  0.127438D+01 -0.456988D+01  0.983692D+00 -0.173266D+01
      2   0.121677D+01 -0.971597D+00  0.983692D+00 -0.538908D+00  0.168173D+00
      3  -0.971597D+00  0.619545D+01 -0.173266D+01  0.168173D+00 -0.180617D+01
               121           122           123           124           125 
      1   0.485279D+01 -0.957963D+00  0.352186D+00 -0.307709D+01 -0.615547D-01
      2  -0.957963D+00  0.420808D+00 -0.113484D+01 -0.615547D-01 -0.994269D+00
      3   0.352186D+00 -0.113484D+01  0.138703D+01 -0.322492D+01  0.114674D+01
               126           127           128           129           130 
      1  -0.322492D+01  0.241789D+01 -0.179714D+01 -0.452585D+00 -0.141414D+01
      2   0.114674D+01 -0.179714D+01  0.348577D+01 -0.127177D+00  0.175770D+01
      3  -0.868857D+01 -0.452585D+00 -0.127177D+00  0.401080D+00 -0.224785D+00
               131           132           133           134           135 
      1   0.175770D+01 -0.224785D+00  0.256008D+00 -0.512773D+00 -0.182330D-01
      2  -0.543059D+01 -0.247520D+00 -0.512773D+00  0.659273D+00 -0.816759D+00
      3  -0.247520D+00 -0.749593D+00 -0.182330D-01 -0.816759D+00  0.273942D+00
               136           137           138           139           140 
      1  -0.366141D+01 -0.231967D+01 -0.164364D+01 -0.154723D+01 -0.173014D+01
      2  -0.231967D+01 -0.247247D+01 -0.161553D+01 -0.173014D+01 -0.325425D+01
      3  -0.164364D+01 -0.161553D+01 -0.215039D+01 -0.113504D+01 -0.186983D+01
               141           142           143           144           145 
      1  -0.113504D+01 -0.213132D+01 -0.179503D+01 -0.184255D+01  0.523533D+00
      2  -0.186983D+01 -0.179503D+01 -0.266607D+01 -0.197737D+01  0.962600D+00
      3  -0.147139D+01 -0.184255D+01 -0.197737D+01 -0.280378D+01  0.439286D-01
               146           147           148           149           150 
      1   0.962600D+00  0.439286D-01  0.875493D+00  0.252917D+00 -0.292678D+00
      2   0.563686D+00 -0.411052D+00  0.252917D+00  0.760690D+01 -0.156367D+01
      3  -0.411052D+00 -0.485108D-01 -0.292678D+00 -0.156367D+01  0.156749D+01
               151           152           153           154           155 
      1  -0.365036D+00 -0.313316D+00 -0.440606D-01  0.558641D+01 -0.235330D+00
      2  -0.313316D+00 -0.374930D+01  0.156543D+01 -0.235330D+00  0.142301D+01
      3  -0.440606D-01  0.156543D+01 -0.139279D+01  0.186683D+01  0.380174D+00
               156           157           158           159           160 
      1   0.186683D+01 -0.113805D+01  0.747561D+00 -0.152605D+00  0.169396D+01
      2   0.380174D+00  0.747561D+00 -0.205807D+00 -0.144558D+00  0.134783D+00
      3   0.200268D+01 -0.152605D+00 -0.144558D+00 -0.445777D+00  0.142205D+01
               161           162           163           164           165 
      1   0.134783D+00  0.142205D+01 -0.413652D+01  0.180887D+01  0.300354D+01
      2   0.264164D+00  0.440661D+00  0.180887D+01 -0.226922D+01 -0.181065D+01
      3   0.440661D+00  0.232151D+01  0.300354D+01 -0.181065D+01 -0.319547D+01
               166           167           168           169           170 
      1   0.544835D+00 -0.120033D+01 -0.919815D+00  0.276395D+01 -0.154047D+01
      2  -0.120033D+01  0.181778D+01  0.101345D+01 -0.154047D+01  0.169847D+01
      3  -0.919815D+00  0.101345D+01  0.104747D+01 -0.287976D+01  0.234781D+01
               171           172           173           174           175 
      1  -0.287976D+01 -0.724910D+01  0.188101D+01  0.233505D+01  0.186490D+01
      2   0.234781D+01  0.188101D+01 -0.134866D+01 -0.754835D+00 -0.181346D+01
      3   0.486169D+01  0.233505D+01 -0.754835D+00 -0.170851D+01 -0.675410D+00
               176           177           178           179           180 
      1  -0.181346D+01 -0.675410D+00  0.621896D+01 -0.166663D+01 -0.246665D+01
      2   0.125222D+01  0.182901D+00 -0.166663D+01  0.100960D+01  0.883574D+00
      3   0.182901D+00  0.639188D+00 -0.246665D+01  0.883574D+00  0.231439D+01
               181           182           183           184           185 
      1  -0.245898D+01 -0.136342D+01 -0.100436D+01 -0.318712D+01 -0.159568D+01
      2  -0.136342D+01 -0.101786D+01 -0.928866D+00 -0.159568D+01 -0.312546D+01
      3  -0.100436D+01 -0.928866D+00 -0.119507D+01 -0.174838D+01 -0.199054D+01
               186           187           188           189           190 
      1  -0.174838D+01 -0.153202D+01 -0.106474D+01 -0.197652D+01 -0.153024D+00
      2  -0.199054D+01 -0.106474D+01 -0.191082D+01 -0.124830D+01  0.600882D+00
      3  -0.206045D+01 -0.197652D+01 -0.124830D+01 -0.275354D+01 -0.127470D+00
               191           192           193           194           195 
      1   0.600882D+00 -0.127470D+00  0.186974D+01 -0.157140D+01  0.722809D+00
      2   0.326321D+00 -0.373202D+00 -0.157140D+01  0.515070D+01 -0.310377D+01
      3  -0.373202D+00  0.295399D+00  0.722809D+00 -0.310377D+01  0.276071D+01
               196           197           198           199           200 
      1  -0.740008D+00  0.614648D+00 -0.123277D+01 -0.363142D+00  0.132016D+01
      2   0.614648D+00 -0.315112D+01  0.260612D+01  0.132016D+01  0.860562D+00
      3  -0.123277D+01  0.260612D+01 -0.347550D+01 -0.747886D+00 -0.235291D+00
               201           202           203           204           205 
      1  -0.747886D+00  0.157851D+01  0.105660D+01 -0.522538D-01 -0.206972D+01
      2  -0.235291D+00  0.105660D+01  0.531501D+01 -0.185976D+01  0.297481D+00
      3  -0.676762D-01 -0.522538D-01 -0.185976D+01  0.149671D+01  0.803323D+00
               206           207           208           209           210 
      1   0.297481D+00  0.803323D+00  0.566108D+00 -0.101533D+01  0.490379D+00
      2  -0.160727D+01  0.996990D+00 -0.101533D+01 -0.200096D+00 -0.544416D-02
      3   0.996990D+00 -0.620178D+00  0.490379D+00 -0.544416D-02  0.142598D+00
               211           212           213           214           215 
      1  -0.195748D+01 -0.482328D+00 -0.790819D-01  0.899712D+00 -0.207001D+00
      2  -0.482328D+00 -0.601548D+01  0.147775D+01 -0.207001D+00  0.190326D+01
      3  -0.790819D-01  0.147775D+01 -0.122966D+01 -0.243189D+00 -0.952026D+00
               216           217           218           219           220 
      1  -0.243189D+00  0.115720D+01  0.167730D+00 -0.523535D+00  0.923196D+00
      2  -0.952026D+00  0.167730D+00 -0.888366D+00  0.157189D+00  0.755233D-02
      3   0.671204D+00 -0.523535D+00  0.157189D+00 -0.510972D+00  0.125877D-01
               221           222           223           224           225 
      1   0.755233D-02  0.125877D-01 -0.203786D+01 -0.944757D+00  0.818407D+00
      2   0.108002D+01 -0.929276D+00 -0.944757D+00 -0.210725D+01  0.201532D+01
      3  -0.929276D+00  0.990654D+00  0.818407D+00  0.201532D+01 -0.705475D+01
               226           227           228           229           230 
      1   0.987418D+01  0.281947D+01  0.632626D+00  0.143575D+01  0.111633D+01
      2   0.281947D+01  0.184981D+01  0.181113D+00  0.111633D+01  0.828631D+00
      3   0.632626D+00  0.181113D+00  0.122485D+01  0.138301D+00  0.333373D+00
               231           232           233           234           235 
      1   0.138301D+00  0.159238D+01  0.516092D+00  0.109788D+01 -0.761795D+00
      2   0.333373D+00  0.516092D+00  0.661289D+00  0.548046D+00  0.788908D+00
      3   0.269642D+00  0.109788D+01  0.548046D+00  0.150577D+00  0.995625D+00
               236           237           238           239           240 
      1   0.788908D+00  0.995625D+00  0.244574D+01 -0.648487D+00 -0.391540D+00
      2  -0.276019D+01 -0.490600D+00 -0.648487D+00  0.487358D+01  0.138075D+01
      3  -0.490600D+00 -0.104197D+01 -0.391540D+00  0.138075D+01  0.149067D+01
               241           242           243 
      1   0.141663D+01 -0.175143D+00 -0.454163D+00
      2  -0.175143D+00  0.231398D+01  0.165774D+01
      3  -0.454163D+00  0.165774D+01  0.102648D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.100561D+02 -0.486321D+01  0.345077D+00 -0.253245D+01 -0.120189D+02
      2   0.134996D+02 -0.289911D+01  0.512443D+01 -0.536225D+01 -0.486657D+01
      3  -0.582307D+01 -0.319977D+01 -0.532672D+01  0.428890D+01 -0.408261D+01
                 6             7             8             9            10 
      1   0.408651D+01 -0.896129D+00  0.115695D+02  0.278355D+01 -0.100191D+02
      2  -0.146522D+01  0.166566D+00 -0.933866D+00  0.167805D+01 -0.300049D+02
      3   0.980120D+01 -0.491562D+01  0.114408D+02  0.558477D-01  0.441368D+01
                11            12            13            14            15 
      1   0.337121D+01  0.172570D+01  0.280472D+01  0.539209D+01 -0.764221D+01
      2   0.816564D+01  0.580241D+01  0.175369D+02  0.612367D+01 -0.412605D+01
      3  -0.789044D+01 -0.341699D+01  0.103190D+01  0.632813D+01 -0.109480D+02
                16            17            18            19            20 
      1   0.853406D+01  0.400769D+00  0.148192D+00  0.106590D+02 -0.411326D+01
      2   0.149662D+02 -0.447079D+01 -0.426734D+01  0.342947D+02 -0.570256D+01
      3  -0.331992D+01 -0.122079D+02  0.263150D+01 -0.477611D+01 -0.150697D+01
                21            22            23            24            25 
      1  -0.241612D+01 -0.787192D+01 -0.524610D+01  0.208974D+00 -0.973746D+01
      2   0.133590D+01 -0.163789D+02  0.554896D+01  0.393585D+01 -0.185464D+02
      3   0.117037D+01  0.108796D+02 -0.394345D-01 -0.201398D+01 -0.452139D+00
                26            27            28            29            30 
      1   0.750079D+01  0.249153D+01 -0.117298D+02  0.141000D+01  0.645653D+00
      2   0.459539D+01  0.440562D+01 -0.351354D+02  0.274202D+01 -0.756941D+01
      3  -0.112490D+00 -0.208175D+01  0.589308D+01  0.315372D+01  0.279788D+01
                31            32            33            34            35 
      1   0.264437D+01  0.330890D+01 -0.223280D+01  0.249551D+01  0.222692D+01
      2   0.820430D+01 -0.338874D+01  0.137402D+01 -0.434956D+02  0.357954D+01
      3   0.182461D+02 -0.212807D+01  0.178137D+01  0.882091D+01  0.583717D+00
                36            37            38            39            40 
      1  -0.125716D+01  0.969903D+01 -0.132109D+01 -0.147715D+01 -0.802116D+01
      2  -0.118025D+02  0.411817D+02 -0.436050D+01  0.133833D+02 -0.571941D+01
      3   0.108317D+01  0.106217D+01 -0.687395D+01 -0.179124D+01  0.736268D+01
                41            42            43            44            45 
      1   0.595664D+00 -0.206799D+01 -0.273689D+01  0.157712D+01 -0.124771D+00
      2  -0.115152D+01  0.148858D+01  0.146061D+02 -0.247666D+00  0.800712D+01
      3  -0.104886D+02  0.558594D+01 -0.626512D+01  0.396358D+01 -0.140324D+01
                46            47            48            49            50 
      1  -0.807089D+01 -0.141570D+01  0.655112D+01 -0.136720D+01  0.840716D+01
      2  -0.240748D+02  0.415247D+01 -0.177968D+02  0.261566D+01 -0.166148D+01
      3  -0.750527D+01  0.866720D+01  0.276122D+01  0.175214D+02  0.358809D+01
                51            52            53            54            55 
      1   0.312728D+01  0.312788D+01  0.127401D+02 -0.464958D+01  0.425827D+01
      2   0.361179D+01 -0.281661D+02 -0.360506D-01 -0.100241D+02  0.188560D+02
      3   0.256929D+01  0.109852D+01  0.566779D+01 -0.167164D+01  0.324061D+01
                56            57            58            59            60 
      1   0.182157D+01 -0.787223D+00 -0.182914D+01 -0.309259D+01 -0.475466D+01
      2  -0.428238D+01  0.185269D+02 -0.122642D+02  0.697542D+01 -0.119348D+02
      3  -0.169032D+02  0.373875D+00 -0.667662D+01  0.172567D+02 -0.436013D+01
                61            62            63            64            65 
      1   0.216114D+01  0.308447D+00  0.272675D+01  0.340167D+01 -0.326909D+01
      2   0.170185D+02 -0.601550D+01  0.170216D+02  0.156101D+02 -0.938308D+01
      3  -0.800374D+00 -0.866601D+01  0.488214D+01  0.267360D+01  0.262600D+01
                66            67            68            69            70 
      1  -0.349898D+01 -0.475161D+01 -0.347245D+01 -0.415111D+01 -0.581982D+01
      2  -0.581517D+01 -0.856527D+01 -0.154822D+02  0.537212D+01 -0.183077D+02
      3   0.630618D+01  0.125993D+02 -0.271840D+01  0.201391D+02  0.583620D+01
                71            72            73            74            75 
      1   0.639728D+00 -0.456481D+00 -0.261215D+00 -0.319244D+01 -0.721014D+01
      2   0.773728D+01 -0.316290D+01  0.428515D+01 -0.146046D+01  0.126282D+02
      3   0.191087D+02 -0.301185D+01  0.294701D+00 -0.481614D+01 -0.399103D+00
                76            77            78            79            80 
      1   0.545411D+00 -0.294929D+01  0.523576D+01 -0.518934D+01  0.105049D+02
      2   0.270913D+01 -0.708263D+01  0.703206D+00  0.281144D+01 -0.597845D+00
      3   0.643590D+00 -0.120726D+02  0.108777D+02 -0.743316D-01  0.103811D+02
                81            82            83            84            85 
      1   0.153006D+01  0.602414D+00  0.984520D+01  0.741743D+01  0.130565D+02
      2   0.678384D+01 -0.139456D+00 -0.188227D+01 -0.462718D+00 -0.314283D+01
      3   0.778451D+01  0.213240D+01 -0.125148D+02  0.202208D+01 -0.439517D+01
                86            87            88            89            90 
      1   0.453380D+01 -0.707263D+01  0.520133D+01 -0.196783D+01 -0.408620D+01
      2  -0.333055D+01  0.183636D+01 -0.706703D+01  0.289051D+01  0.257934D+01
      3   0.594617D+01 -0.367613D+01  0.318205D+01 -0.674767D+01 -0.935074D+01
                91            92            93            94            95 
      1   0.297353D+01 -0.296526D+01 -0.467925D+01  0.233708D+00  0.271587D+01
      2  -0.972683D+01 -0.697752D+00  0.713575D+01  0.329810D+00 -0.348551D+01
      3  -0.812845D+00 -0.186942D+02 -0.293559D+01 -0.896922D+01  0.341513D+01
                96            97            98            99           100 
      1  -0.157227D+01  0.345890D+01  0.903255D+01 -0.731881D+01  0.117758D+01
      2  -0.273780D+01 -0.318767D+01 -0.777027D+01  0.151931D+02  0.168060D+01
      3   0.524224D+01 -0.181931D+01  0.730882D+01  0.969549D+01  0.411262D+01
               101           102           103           104           105 
      1  -0.256047D+01 -0.212054D+01 -0.554532D+00 -0.768562D+00 -0.177442D+01
      2  -0.603778D+00  0.414795D+01  0.114769D+01  0.110636D+00  0.122105D+01
      3  -0.542539D+01 -0.766566D+00 -0.446726D+00 -0.152399D+01 -0.151752D+00
               106           107           108           109           110 
      1  -0.946475D+00  0.445906D+00  0.150365D+01  0.110978D+01  0.255107D+01
      2  -0.130607D+01  0.116231D+01 -0.353529D+01 -0.665591D+01  0.105130D+01
      3  -0.104255D+01  0.651364D+00 -0.367378D+00 -0.343323D+01  0.141927D+01
               111           112           113           114           115 
      1   0.381244D+01  0.767500D+00  0.138400D+01 -0.703831D+00  0.193739D+01
      2  -0.807715D+01  0.529144D+00 -0.178210D+01  0.166793D+00 -0.822203D+01
      3  -0.261441D+01  0.174391D+01  0.686454D-02  0.778744D+00 -0.258387D+01
               116           117           118           119           120 
      1   0.257417D+01  0.644939D+01 -0.106218D+01  0.114290D+01 -0.354641D+00
      2   0.193056D+01 -0.154364D+02 -0.440345D+01  0.114716D+01  0.801614D+00
      3   0.178215D+01 -0.436675D+01  0.104756D+01 -0.157978D+01  0.622791D+00
               121           122           123           124           125 
      1   0.251743D+01 -0.721023D+00  0.820840D+00  0.174642D+01  0.462164D+01
      2   0.560101D+01 -0.351144D+00 -0.912975D+00 -0.355981D+01 -0.764401D+00
      3   0.978454D+00  0.663469D-01 -0.100112D+01  0.470513D+00 -0.110542D+01
               126           127           128           129           130 
      1  -0.264192D+01  0.297473D+00 -0.246864D+01  0.221877D+01 -0.126039D+01
      2   0.428883D+01  0.546975D+00  0.122285D+00  0.323242D+00  0.660013D+00
      3   0.123495D+01 -0.122775D+02  0.870641D+01  0.102222D+01  0.108409D+02
               131           132           133           134           135 
      1   0.190655D+01 -0.366840D+01  0.516200D+00 -0.873800D+00  0.141758D+01
      2   0.369672D+00 -0.347744D+00 -0.107092D+01  0.738186D+00 -0.461017D+00
      3  -0.119666D+02  0.285687D-01 -0.144418D+01  0.252240D+01 -0.128174D+01
               136           137           138           139           140 
      1  -0.249234D+01 -0.176652D+01 -0.501929D+01 -0.158600D+01 -0.223487D+01
      2  -0.114707D+01  0.949759D+00  0.320108D+01  0.300274D+00  0.125819D+01
      3   0.489458D+01 -0.973238D+00  0.114089D+01  0.259511D+01 -0.236511D+01
               141           142           143           144           145 
      1  -0.317385D+01 -0.334700D+01 -0.909733D+00 -0.578684D+01  0.931597D+00
      2   0.197272D+01 -0.232151D+00  0.173257D+01  0.297287D+01 -0.859583D+00
      3  -0.208260D+00  0.261091D+01 -0.964215D+00  0.128051D+01  0.368149D+01
               146           147           148           149           150 
      1   0.174137D+01 -0.927466D+00  0.109730D+01  0.115613D+02 -0.778794D+01
      2  -0.377456D+00  0.657379D+00 -0.543224D+00  0.713943D+00 -0.130668D+01
      3   0.192305D+01 -0.919873D+00  0.521984D+01  0.132482D+02 -0.314615D+01
               151           152           153           154           155 
      1  -0.413954D+00 -0.574782D+01  0.595017D+01 -0.425097D+01  0.261486D+01
      2  -0.625623D+00 -0.127433D+01  0.162827D+01 -0.139068D+02  0.361181D+00
      3  -0.312058D+01 -0.741061D+01  0.266694D+01  0.125152D+02 -0.581360D+00
               156           157           158           159           160 
      1  -0.355016D+01  0.161144D+01 -0.876538D+00 -0.281048D+00 -0.300717D+01
      2  -0.380444D+01  0.262265D+01 -0.109344D+01  0.770767D+00 -0.698574D+01
      3   0.431634D+01  0.111033D+00  0.108754D+01 -0.676104D+00  0.410349D+01
               161           162           163           164           165 
      1   0.105426D+01 -0.333976D+01 -0.379793D+01 -0.238093D+00  0.470894D+01
      2  -0.549377D+00 -0.444788D+01 -0.882391D-01  0.188314D+01  0.388298D+01
      3  -0.787295D+00  0.351901D+01 -0.395385D+01 -0.302485D+01  0.160174D+01
               166           167           168           169           170 
      1   0.688152D+00  0.322309D+00 -0.242330D+01  0.379062D+01 -0.587217D+00
      2  -0.513713D+00 -0.414934D+00 -0.641747D+00 -0.180114D+01 -0.215125D+01
      3   0.944837D+00  0.144939D+01 -0.401291D+00  0.421955D+01  0.870987D+00
               171           172           173           174           175 
      1  -0.707117D+01 -0.336613D+01  0.862462D+00  0.257410D+01  0.134827D+01
      2  -0.595394D+01 -0.122847D+02  0.417154D+01  0.104410D+02  0.360976D+01
      3  -0.902450D+00 -0.156777D+00 -0.582904D+01 -0.100073D+01 -0.358239D+01
               176           177           178           179           180 
      1  -0.456577D+00 -0.157270D+01  0.293806D+01  0.222127D+00 -0.275483D+01
      2  -0.157809D+01 -0.349419D+01  0.102609D+02 -0.397273D+01 -0.114523D+02
      3   0.341934D+01 -0.454123D-01 -0.788262D+00  0.337397D+01  0.126409D+01
               181           182           183           184           185 
      1   0.180458D+01  0.181041D+01  0.112696D+01  0.190675D+01  0.529878D+01
      2   0.187196D+01  0.222370D+01  0.465743D+01  0.285956D+01  0.638619D+01
      3  -0.613552D+01 -0.561256D+01 -0.422910D+01 -0.544051D+01 -0.145896D+02
               186           187           188           189           190 
      1   0.146158D+01  0.200632D+01  0.407839D+01  0.208310D+01 -0.299528D+00
      2   0.719131D+01  0.386761D+01  0.398481D+01  0.869202D+01  0.106288D+01
      3  -0.850724D+01 -0.437027D+01 -0.889049D+01 -0.588287D+01  0.272302D+01
               191           192           193           194           195 
      1   0.259554D-01 -0.128920D+00 -0.109036D+00 -0.170066D+01 -0.258334D+01
      2   0.152918D+01 -0.102307D+00 -0.105054D+00  0.102077D+02 -0.982191D+01
      3   0.714732D+00 -0.125288D+01 -0.122003D+01  0.171659D+02 -0.105561D+02
               196           197           198           199           200 
      1   0.831632D+00  0.163862D+01  0.238093D+01  0.237817D-01 -0.137527D+01
      2   0.179816D+01 -0.884750D+01  0.113922D+02 -0.343094D+00  0.142246D+01
      3   0.301808D+00 -0.115676D+02  0.849250D+01  0.331111D+00 -0.208767D+00
               201           202           203           204           205 
      1  -0.428860D+00 -0.245968D+01 -0.586301D+01 -0.147063D+01 -0.514568D+01
      2  -0.505602D+00  0.242905D+01  0.101676D+01  0.655342D+00 -0.294510D+01
      3   0.253965D+00  0.290921D+01 -0.207090D+01 -0.112774D+00 -0.157382D+01
               206           207           208           209           210 
      1   0.244684D+01 -0.115741D+01  0.127885D+01 -0.333070D-01 -0.592174D-01
      2   0.671154D-01  0.410173D+00  0.218246D+01 -0.449516D+00  0.419752D+00
      3   0.658866D+00 -0.919085D+00  0.207562D+01  0.993148D+00 -0.436635D+00
               211           212           213           214           215 
      1  -0.750052D+00  0.710593D+00 -0.359980D+01 -0.203780D+01  0.285095D+00
      2  -0.317292D+00  0.349483D+01 -0.249081D+01 -0.343217D+01 -0.214948D+01
      3   0.610099D+01  0.126282D+02 -0.323284D+01 -0.152140D+01 -0.387472D+01
               216           217           218           219           220 
      1   0.550710D+00  0.536307D-02 -0.133322D+00  0.127167D+01 -0.106468D+01
      2   0.958293D+00 -0.144651D+01  0.641949D+00 -0.176663D+01  0.147929D+01
      3   0.201006D+01 -0.652732D+00  0.247062D+01 -0.172605D+01  0.684177D+00
               221           222           223           224           225 
      1   0.910845D+00 -0.186705D+01 -0.165738D+01 -0.172428D+01  0.119424D+02
      2  -0.298816D+01  0.316005D+01  0.340498D+00  0.669462D+01 -0.239741D+02
      3  -0.418876D+01  0.301156D+01 -0.247223D+00  0.561279D+01 -0.700553D+01
               226           227           228           229           230 
      1  -0.225500D+01 -0.713381D+00 -0.226652D+01 -0.682817D+00 -0.712017D+00
      2   0.600159D+01  0.174666D+01  0.675218D+01  0.130548D+01  0.155493D+01
      3   0.389731D+01 -0.522547D+01  0.534916D+00  0.270938D+00 -0.127826D+01
               231           232           233           234           235 
      1  -0.128699D+01 -0.114953D+01  0.216307D-01 -0.391715D+00 -0.673934D+00
      2   0.133458D+01  0.309253D+01  0.168893D+01  0.115526D+01  0.296042D+01
      3  -0.105187D+01  0.477421D+00 -0.215788D+01 -0.805412D+00 -0.634885D+01
               236           237           238           239           240 
      1   0.323205D+01  0.252662D+01  0.180174D+01 -0.487092D+01 -0.411010D+01
      2  -0.227583D+01 -0.246508D+01 -0.102755D+01  0.489610D+01  0.448538D+01
      3   0.116581D+02  0.395510D+01  0.735091D+01 -0.192066D+02 -0.590495D+01
               241           242           243 
      1   0.226156D+00 -0.355116D+01 -0.298502D+01
      2  -0.157035D+01  0.609268D+01  0.352960D+01
      3   0.321759D+01 -0.943464D+01 -0.755028D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128360D+02 -0.236595D+01  0.700983D+01 -0.438640D+01  0.575680D+00
      2   0.574382D+01 -0.471048D+01 -0.144943D+01 -0.231027D+01 -0.161703D+02
      3  -0.185798D+02  0.707643D+01 -0.556040D+01  0.669667D+01  0.155946D+02
      4  -0.160870D+01 -0.248222D+01 -0.194529D+02 -0.228372D+01  0.109561D+02
      5   0.133609D+02 -0.112295D+02 -0.157382D+02 -0.958218D+01 -0.790536D+01
      6  -0.136574D+02  0.117104D+02  0.996375D+01  0.676231D+01  0.129690D+02
                 6             7             8             9            10 
      1  -0.161802D+02  0.643485D+01 -0.181503D+02 -0.162383D+01 -0.143346D+02
      2   0.210393D+02 -0.160665D+01  0.267171D+02  0.239018D+01  0.579522D+01
      3  -0.485916D+01 -0.482821D+01 -0.856677D+01 -0.766352D+00  0.853941D+01
      4  -0.313033D+01 -0.220583D+02 -0.181017D+00  0.119007D+02  0.246095D+01
      5   0.788157D+01 -0.177075D+02  0.122290D+02  0.119438D+02 -0.236443D+02
      6   0.105774D+01  0.112715D+02 -0.278174D+01 -0.667971D+01  0.791565D+01
                11            12            13            14            15 
      1   0.352069D+01 -0.172904D+02  0.881358D+01  0.974898D+01  0.123225D+02
      2  -0.154063D+01  0.432168D+01 -0.426901D+01  0.909202D+00 -0.631465D+01
      3  -0.198006D+01  0.129688D+02 -0.454457D+01 -0.106582D+02 -0.600790D+01
      4   0.662988D+01  0.118253D+02  0.807971D+01 -0.210233D+02  0.122738D+02
      5   0.942616D+01  0.274265D+01  0.100173D+02  0.169304D+02 -0.617795D+01
      6  -0.786528D+01 -0.252043D+01  0.456792D+00  0.890346D+00 -0.656648D+01
                16            17            18            19            20 
      1  -0.186240D+02  0.151343D+02 -0.154357D+01  0.273304D+02  0.356459D+01
      2   0.158814D+01 -0.134412D+02 -0.368732D+01 -0.890906D+01 -0.545969D+01
      3   0.170359D+02 -0.169309D+01  0.523089D+01 -0.184213D+02  0.189510D+01
      4   0.146946D+02  0.935072D+01 -0.673974D+01 -0.207986D+00 -0.374833D+01
      5   0.122411D+02 -0.828618D+01  0.301984D+00  0.181961D+01 -0.102215D+01
      6  -0.637651D+01 -0.128562D+01  0.185602D+01 -0.357422D+01  0.233385D+01
                21            22            23            24            25 
      1   0.548209D+01  0.301425D+01 -0.334996D+01 -0.711817D+01  0.219795D+02
      2   0.418851D+01 -0.368740D+01 -0.604800D+01 -0.188759D+00  0.605425D+01
      3  -0.967059D+01  0.673150D+00  0.939796D+01  0.730692D+01 -0.280337D+02
      4  -0.261614D+01 -0.753832D+01 -0.301706D+01  0.257388D+01 -0.943589D+01
      5  -0.338243D+01 -0.343990D+01  0.537652D+00  0.535076D+01 -0.134009D+02
      6   0.266356D+01 -0.288371D+00 -0.491038D+01  0.281252D+01  0.334934D+01
                26            27            28            29            30 
      1  -0.957439D+01  0.181464D+02 -0.103517D+03  0.937727D+01 -0.125710D+02
      2   0.511058D+01  0.849726D+01  0.408078D+02 -0.552085D+01  0.475957D+01
      3   0.446380D+01 -0.266437D+02  0.627094D+02 -0.385642D+01  0.781146D+01
      4   0.495017D+01  0.710030D+01  0.162433D+02 -0.105501D+02  0.109766D+01
      5   0.883202D+01 -0.159420D+02 -0.590532D+01 -0.654904D+00 -0.861562D+01
      6   0.503227D+00 -0.484324D+00  0.763095D+01  0.219384D+01  0.157893D+01
                31            32            33            34            35 
      1   0.400904D+02 -0.622222D+01  0.193535D+01 -0.422470D+02 -0.124037D+01
      2  -0.190645D+02  0.328435D+01 -0.130538D+00  0.105248D+02  0.358060D+01
      3  -0.210259D+02  0.293787D+01 -0.180481D+01  0.317222D+02 -0.234023D+01
      4  -0.118438D+02 -0.132584D+01  0.124117D+01  0.840222D+01 -0.282369D+01
      5   0.773628D+01  0.255095D+01  0.640662D+00 -0.973435D+01 -0.104201D+01
      6   0.155361D+01  0.902047D+01 -0.942317D+00  0.604435D+00  0.305551D+01
                36            37            38            39            40 
      1  -0.303571D+02  0.151980D+03 -0.222873D+02  0.310696D+02 -0.182722D+02
      2   0.193345D+00 -0.664484D+02  0.956241D+01 -0.114490D+02  0.412124D+01
      3   0.301637D+02 -0.855320D+02  0.127249D+02 -0.196206D+02  0.141510D+02
      4   0.334651D+01 -0.425411D+02  0.141114D+02 -0.629597D+01  0.155886D+02
      5  -0.140059D+02  0.261821D+02 -0.218424D+01  0.193560D+02  0.362879D+01
      6   0.481050D+01 -0.115760D+02 -0.903135D+00 -0.379051D+01 -0.160715D+01
                41            42            43            44            45 
      1   0.109508D+02 -0.840550D+01  0.403223D+02 -0.931717D+01  0.110434D+02
      2  -0.883327D+01  0.338157D+01 -0.181830D+02  0.806276D+01 -0.799672D+01
      3  -0.211750D+01  0.502393D+01 -0.221392D+02  0.125441D+01 -0.304665D+01
      4   0.897895D+01 -0.568602D+01 -0.574156D+01 -0.717322D+01 -0.455046D+01
      5  -0.774951D+01 -0.634991D+00  0.292101D+02 -0.504881D+01  0.761751D+01
      6   0.552102D+01  0.315922D+01 -0.966507D+01  0.595574D+01 -0.213943D-01
                46            47            48            49            50 
      1  -0.136233D+03  0.325977D+02 -0.275952D+02  0.464144D+02 -0.213552D+02
      2   0.629900D+02 -0.151238D+02  0.162086D+02 -0.289901D+02  0.492532D+01
      3   0.732427D+02 -0.174739D+02  0.113866D+02 -0.174243D+02  0.164298D+02
      4   0.595505D+02 -0.319928D+02  0.169956D+02 -0.322911D+02 -0.778813D+01
      5  -0.452944D+02  0.130437D+02 -0.265079D+02  0.245243D+02 -0.137792D+01
      6   0.171223D+02 -0.639862D+01  0.343756D+01  0.441691D+00  0.467842D+01
                51            52            53            54            55 
      1   0.150198D+02 -0.561224D+02  0.140357D+02 -0.182448D+02  0.150527D+03
      2  -0.128393D+02  0.277066D+02 -0.383348D+01  0.606244D+01 -0.739268D+02
      3  -0.218049D+01  0.284158D+02 -0.102022D+02  0.121824D+02 -0.766001D+02
      4  -0.102309D+01  0.310743D+02 -0.440891D+01  0.780105D+01 -0.604737D+02
      5   0.507776D+01 -0.153667D+02  0.557920D+01 -0.154274D+02  0.400093D+02
      6  -0.517264D+01  0.182091D+01  0.777041D+00  0.621605D+01 -0.893940D+01
                56            57            58            59            60 
      1  -0.361495D+02  0.286162D+02 -0.848529D+02  0.273187D+02 -0.144213D+02
      2   0.135187D+02 -0.181333D+02  0.349337D+02 -0.236630D+01  0.864148D+01
      3   0.226308D+02 -0.104829D+02  0.499192D+02 -0.249524D+02  0.577986D+01
      4   0.401436D+02 -0.134689D+02  0.635983D+02 -0.467652D+02  0.170879D+02
      5  -0.114745D+02  0.319747D+02 -0.253746D+02  0.144609D+02 -0.179204D+02
      6   0.447062D+01 -0.608858D+01  0.104678D+02 -0.677709D+01  0.116614D+02
                61            62            63            64            65 
      1   0.543612D+02 -0.719036D+01  0.257730D+02 -0.941770D+01  0.395702D+00
      2  -0.316576D+02  0.516705D+01 -0.217158D+02  0.332967D+01  0.234324D+01
      3  -0.227037D+02  0.202332D+01 -0.405717D+01  0.608803D+01 -0.273894D+01
      4  -0.216502D+02  0.139390D+02 -0.210210D+02  0.123057D+00 -0.756343D+01
      5   0.510054D+02 -0.195887D+02  0.371316D+02  0.325352D+02 -0.194369D+02
      6  -0.100027D+02  0.110526D+02 -0.970966D+01 -0.101296D+02  0.270910D+01
                66            67            68            69            70 
      1   0.273760D+02 -0.339134D+01 -0.480697D+01 -0.264388D+02  0.386102D+02
      2  -0.109912D+02  0.554526D+01  0.493830D+01  0.181424D+02 -0.151213D+02
      3  -0.163848D+02 -0.215392D+01 -0.131332D+00  0.829640D+01 -0.234890D+02
      4  -0.216502D+02 -0.143047D+02  0.549362D+01 -0.256888D+02 -0.235247D+02
      5  -0.702722D+01 -0.184881D+02 -0.280482D+02  0.379754D+01 -0.178126D+02
      6  -0.231935D+00 -0.161086D+01  0.973752D+01 -0.105966D+02  0.236395D+01
                71            72            73            74            75 
      1  -0.285943D+02 -0.981684D+01 -0.156965D+02 -0.120596D+02  0.193445D+02
      2   0.199508D+02  0.440149D+01  0.936881D+01  0.641228D+01  0.314912D+01
      3   0.864346D+01  0.541535D+01  0.632771D+01  0.564732D+01 -0.224937D+02
      4  -0.232790D+02  0.780092D+01 -0.208936D+02 -0.884276D+01  0.129187D+02
      5   0.675452D+01 -0.525704D+01  0.221088D+02  0.122742D+02 -0.234274D+01
      6  -0.113555D+02  0.245062D+01  0.104089D+02  0.877972D+01  0.270860D+01
                76            77            78            79            80 
      1  -0.125865D+02 -0.902857D+01  0.123219D+02  0.123218D+02  0.725096D+01
      2   0.936623D+01  0.287156D+01 -0.131217D+02  0.383091D+01 -0.666215D+01
      3   0.322032D+01  0.615702D+01  0.799816D+00 -0.161527D+02 -0.588810D+00
      4  -0.576282D+01  0.205920D+02 -0.864983D+01  0.805779D+01 -0.441050D+01
      5   0.143032D+02 -0.151329D+02 -0.599238D+01  0.170787D+01 -0.445746D+01
      6   0.144262D+01 -0.121277D+02  0.307820D+01  0.432188D+01 -0.682436D+00
                81            82            83            84            85 
      1   0.134310D+02  0.413578D+01 -0.111946D+02  0.463170D+01 -0.819172D+01
      2  -0.318995D+01 -0.658070D+01  0.171226D+02 -0.115219D+02  0.111106D+02
      3  -0.102410D+02  0.244492D+01 -0.592793D+01  0.689023D+01 -0.291890D+01
      4  -0.285434D+00 -0.463039D+01 -0.467965D+01 -0.111187D+02 -0.604133D-01
      5  -0.104460D+01 -0.584772D+01 -0.119291D+02 -0.104750D+02 -0.117239D+02
      6   0.284903D+01 -0.555551D+01 -0.131504D+02 -0.125127D+02 -0.891665D+01
                86            87            88            89            90 
      1   0.339991D+01 -0.337784D+01  0.894892D+01 -0.404787D+01 -0.121345D+02
      2  -0.706863D+00 -0.157743D+00 -0.168474D+02 -0.306839D+01  0.869229D+01
      3  -0.269305D+01  0.353558D+01  0.789851D+01  0.711627D+01  0.344217D+01
      4   0.632040D+01 -0.969268D+01 -0.117183D+02 -0.155938D+02 -0.749175D+01
      5  -0.445343D+01  0.124693D+01 -0.126978D+02 -0.198223D+01  0.277345D+01
      6  -0.162577D+01 -0.176796D+01 -0.131991D+02 -0.627443D+00  0.129394D+01
                91            92            93            94            95 
      1  -0.548738D+02 -0.269027D+02 -0.132737D+02 -0.118506D+02  0.193056D+02
      2   0.229592D+02  0.221150D+02  0.104646D+02  0.132818D+02 -0.775323D+01
      3   0.319146D+02  0.478775D+01  0.280909D+01 -0.143125D+01 -0.115524D+02
      4  -0.232558D+02  0.147261D+02 -0.520421D+01  0.191258D+02  0.114979D+02
      5  -0.117148D+02 -0.238552D+01  0.109100D+02 -0.306433D+01 -0.972244D+01
      6  -0.543482D+01  0.112665D+01  0.575966D+01 -0.106266D+01 -0.960937D+01
                96            97            98            99           100 
      1   0.289792D+01 -0.214038D+02  0.596251D+00  0.175761D+02  0.460390D+02
      2  -0.742273D+01  0.110547D+02 -0.109947D+02 -0.367703D+01 -0.241639D+02
      3   0.452480D+01  0.103491D+02  0.103984D+02 -0.138991D+02 -0.218751D+02
      4  -0.786806D+01 -0.767534D+01 -0.813712D+01 -0.975966D+01  0.326214D+02
      5  -0.563623D+01  0.417404D+01 -0.115110D+02  0.276399D+02 -0.320651D+02
      6  -0.751043D+00  0.190746D+01 -0.667536D+01  0.128642D+02 -0.127131D+02
               101           102           103           104           105 
      1   0.103765D+02 -0.135268D+02  0.854515D+01  0.577343D+01 -0.238568D+01
      2  -0.211091D+01  0.951802D+01 -0.134456D+01  0.213122D+01  0.156128D+01
      3  -0.826561D+01  0.400876D+01 -0.720059D+01 -0.790465D+01  0.824395D+00
      4   0.212482D+02 -0.136230D+02  0.171898D+02  0.123313D+02 -0.670934D+01
      5  -0.116219D+02  0.201623D+02 -0.854166D+01 -0.662441D+01  0.598622D+01
      6  -0.892568D+01  0.836109D+01 -0.714769D+01 -0.471101D+01  0.547806D+01
               106           107           108           109           110 
      1  -0.941576D+01 -0.216088D+01  0.388235D+01 -0.525337D+01  0.513112D+01
      2   0.685705D+01  0.241334D+01 -0.625986D+01 -0.140267D+01 -0.333481D+01
      3   0.255871D+01 -0.252462D+00  0.237751D+01  0.665604D+01 -0.179631D+01
      4  -0.867511D+01 -0.503991D+01  0.844715D+01 -0.379831D+00 -0.119655D+01
      5   0.157317D+02  0.684193D+01 -0.133684D+02 -0.431395D+00 -0.105086D+01
      6   0.643997D+01  0.481483D+01 -0.714891D+01 -0.416899D+01  0.334329D+01
               111           112           113           114           115 
      1  -0.144840D+02  0.175506D+01 -0.417644D+01  0.373871D+00 -0.100639D+02
      2  -0.254500D+01 -0.153492D+01  0.886062D+00 -0.125488D+01  0.102576D+01
      3   0.170290D+02 -0.220135D+00  0.329038D+01  0.881013D+00  0.903816D+01
      4  -0.266004D+01  0.136199D+01 -0.147930D+01 -0.925018D+00 -0.291619D+01
      5  -0.231549D+01 -0.137532D+01  0.481900D+00  0.609784D+00  0.240518D+01
      6  -0.738027D+01  0.156508D+01 -0.162277D+01  0.640541D+01 -0.193208D+01
               116           117           118           119           120 
      1   0.438484D+01 -0.244936D+02 -0.162301D+01  0.212568D+00 -0.150191D+01
      2  -0.120750D+01 -0.888750D+01 -0.606651D+01  0.383893D+00 -0.485257D+01
      3  -0.317734D+01  0.333811D+02  0.768952D+01 -0.596461D+00  0.635448D+01
      4  -0.384428D+01  0.139497D+01 -0.706081D+00  0.350573D+01 -0.527464D+00
      5   0.317700D+01 -0.138053D+02  0.785545D+01 -0.179410D+01  0.120368D+02
      6   0.730896D+01 -0.152933D+02 -0.525932D+00  0.922424D+00  0.117582D+00
               121           122           123           124           125 
      1   0.495239D+01 -0.481852D+01  0.362230D+01 -0.678982D+01  0.158923D+01
      2  -0.179344D+01  0.414398D-01  0.296317D+01 -0.664462D+01  0.334787D+01
      3  -0.315895D+01  0.477708D+01 -0.658546D+01  0.134344D+02 -0.493710D+01
      4   0.260243D+01 -0.101277D+01  0.307589D+01  0.917068D+00  0.293842D+01
      5  -0.235589D+01  0.369146D+01 -0.304481D+01  0.166579D+02 -0.338611D+01
      6   0.152394D+01 -0.133648D+01  0.687674D+01  0.591708D+00  0.550691D+01
               126           127           128           129           130 
      1  -0.261429D+02 -0.821115D+01  0.163503D+02  0.269191D+00  0.878731D+01
      2  -0.200603D+02  0.112303D+02 -0.232427D+02  0.813232D+00 -0.124496D+02
      3   0.462032D+02 -0.301912D+01  0.689241D+01 -0.108242D+01  0.366233D+01
      4  -0.193717D+01 -0.589639D+01  0.375249D+01  0.185843D+01  0.649592D+01
      5   0.238877D+02 -0.240023D+00  0.144536D+01  0.126799D+01  0.177344D+01
      6  -0.413483D+00  0.821283D+00  0.576179D+00 -0.256806D+01  0.915109D+00
               131           132           133           134           135 
      1  -0.240036D+02 -0.367417D+00 -0.217043D+01  0.362837D+01 -0.343788D+01
      2   0.360853D+02  0.501539D+00  0.305831D+01 -0.462233D+01  0.343723D+01
      3  -0.120817D+02 -0.134122D+00 -0.887880D+00  0.993957D+00  0.642050D-03
      4  -0.105258D+00  0.122397D+01  0.584779D+00  0.813620D+00  0.575802D+00
      5   0.313171D+00  0.795183D+00  0.254944D+01  0.114583D+01 -0.713225D+00
      6   0.701288D+00  0.598017D+01 -0.497244D+00  0.643270D+01 -0.176296D+01
               136           137           138           139           140 
      1   0.852126D+01  0.249454D+00  0.132464D+01  0.158635D+01 -0.604122D+01
      2   0.161875D+01  0.712366D+01  0.221770D+01  0.414458D+01  0.147871D+02
      3  -0.101400D+02 -0.737312D+01 -0.354234D+01 -0.573093D+01 -0.874583D+01
      4   0.207245D+02  0.195525D+02  0.114929D+02  0.147844D+02  0.179715D+02
      5   0.125224D+02  0.942373D+01  0.125000D+02  0.675015D+01  0.930828D+01
      6   0.980693D+01  0.104182D+02  0.111172D+02  0.754541D+01  0.127778D+02
               141           142           143           144           145 
      1  -0.326869D+01  0.746914D+00 -0.539889D+01 -0.316848D+01 -0.301440D+01
      2   0.656489D+01  0.242536D+01  0.893781D+01  0.141763D+01  0.402441D+01
      3  -0.329620D+01 -0.317227D+01 -0.353892D+01  0.175086D+01 -0.101001D+01
      4   0.103531D+02  0.126098D+02  0.142812D+02  0.129198D+02 -0.103216D+01
      5   0.735607D+01  0.117284D+02  0.100581D+02  0.140001D+02  0.215582D+00
      6   0.101666D+02  0.106373D+02  0.138830D+02  0.158056D+02 -0.541091D-01
               146           147           148           149           150 
      1  -0.499572D+01  0.873938D+00 -0.361846D+01 -0.234408D+02  0.404861D+01
      2   0.625442D+01 -0.149050D+01  0.327622D+01  0.454817D+02 -0.111579D+02
      3  -0.125870D+01  0.616562D+00  0.342243D+00 -0.220409D+02  0.710932D+01
      4   0.519744D+01  0.371856D+00  0.659500D+01 -0.184817D+02  0.312438D+01
      5   0.171809D+01  0.225147D+01  0.160677D+01  0.515411D+01 -0.477121D+01
      6  -0.102027D+01  0.210283D-01 -0.104152D+01 -0.146959D+01  0.796850D+01
               151           152           153           154           155 
      1   0.256737D+01  0.112649D+02 -0.387468D+01 -0.935649D+01 -0.513181D+01
      2  -0.158898D+01 -0.211763D+02  0.724554D+01 -0.212491D+01  0.590745D+01
      3  -0.978394D+00  0.991141D+01 -0.337086D+01  0.114814D+02 -0.775641D+00
      4  -0.219925D+01  0.928486D+01 -0.460289D+01  0.130118D+02 -0.424872D+00
      5   0.199883D+01 -0.517461D+01  0.353180D+01  0.619147D+01  0.422719D+00
      6  -0.557063D+00  0.675098D+01 -0.698156D+01  0.476339D+01  0.401571D+01
               156           157           158           159           160 
      1  -0.108841D+02  0.325240D+00 -0.179112D+01  0.327867D+01 -0.843184D+01
      2  -0.803306D+00  0.216592D+01  0.187271D+01 -0.490202D+00 -0.704985D+00
      3   0.116874D+02 -0.249116D+01 -0.815978D-01 -0.278847D+01  0.913682D+01
      4   0.600407D+01 -0.239146D+00  0.158021D+01  0.465784D+00  0.764772D+01
      5   0.335041D+01  0.285309D+00  0.186213D+01  0.473394D+00  0.548646D+01
      6   0.593135D+01  0.193865D+01 -0.158775D+01  0.121303D+01  0.299083D+01
               161           162           163           164           165 
      1  -0.262066D-01 -0.951215D+01  0.107023D+02  0.840682D+00 -0.168458D+01
      2  -0.528807D+00 -0.256973D+01 -0.102815D+02 -0.212006D+01  0.719509D+01
      3   0.555014D+00  0.120819D+02 -0.420780D+00  0.127938D+01 -0.551051D+01
      4   0.180630D+00  0.250356D+01 -0.173892D+02  0.147480D+02  0.142727D+02
      5  -0.159998D+01 -0.230780D-01 -0.223908D+02  0.113376D+02  0.218422D+02
      6   0.393469D+01  0.632324D+01  0.119225D+02 -0.112362D+02 -0.133676D+02
               166           167           168           169           170 
      1   0.668744D+00 -0.284798D+01 -0.171286D+01 -0.400002D+01 -0.329767D+01
      2  -0.169673D+01  0.532174D+01  0.593900D+00  0.807962D+01 -0.380533D+00
      3   0.102799D+01 -0.247376D+01  0.111896D+01 -0.407959D+01  0.367821D+01
      4   0.901169D+01 -0.992255D+01 -0.729962D+01  0.146332D+02 -0.111913D+02
      5   0.535538D+01 -0.686210D+01 -0.589986D+01  0.211435D+02 -0.123473D+02
      6  -0.701806D+01  0.727513D+01  0.920966D+01 -0.121430D+02  0.137507D+02
               171           172           173           174           175 
      1  -0.603780D+01  0.645639D+02 -0.128183D+02 -0.191085D+02 -0.124420D+02
      2  -0.950392D+01 -0.304961D+02  0.347674D+01  0.843721D+01  0.279097D+01
      3   0.155417D+02 -0.340678D+02  0.934151D+01  0.106713D+02  0.965103D+01
      4  -0.147812D+02 -0.217788D+02  0.145572D+02  0.805181D+01  0.175404D+02
      5  -0.266029D+02 -0.196885D+02  0.615888D+01  0.161369D+02  0.541925D+01
      6   0.202528D+02  0.450764D+01 -0.132307D+01 -0.320557D+01 -0.150012D+01
               176           177           178           179           180 
      1   0.890773D+01  0.539528D+01 -0.419010D+02  0.102336D+02  0.148622D+02
      2  -0.208775D+01 -0.177061D+01  0.199457D+02 -0.347433D+01 -0.868318D+01
      3  -0.681998D+01 -0.362466D+01  0.219553D+02 -0.675928D+01 -0.617900D+01
      4  -0.110968D+02 -0.311179D+01  0.166187D+02 -0.100634D+02 -0.780406D+01
      5  -0.221385D+01 -0.485666D+01  0.223935D+02 -0.700263D+01 -0.201154D+02
      6   0.714545D+00  0.403514D+01 -0.457527D+01  0.425312D+01  0.475741D+01
               181           182           183           184           185 
      1   0.202864D+02  0.100012D+02  0.733670D+01  0.230945D+02  0.797617D+01
      2  -0.126112D+02 -0.680924D+01 -0.661602D+01 -0.146518D+02 -0.542687D+01
      3  -0.767515D+01 -0.319199D+01 -0.720684D+00 -0.844268D+01 -0.254930D+01
      4   0.970911D+01  0.951789D+01  0.751084D+01  0.134514D+02  0.226728D+02
      5   0.104123D+02  0.876648D+01  0.119398D+02  0.155569D+02  0.142915D+02
      6   0.293320D+01  0.143145D+01  0.104484D+01  0.228311D+01  0.500571D+01
               186           187           188           189           190 
      1   0.101935D+02  0.109521D+02  0.704157D+01  0.882593D+01  0.577580D+00
      2  -0.102761D+02 -0.992285D+01 -0.766571D+01 -0.116544D+02  0.332240D+00
      3   0.826408D-01 -0.102926D+01  0.624147D+00  0.282845D+01 -0.909820D+00
      4   0.137160D+02  0.838806D+01  0.132647D+02  0.851052D+01 -0.335458D+01
      5   0.161754D+02  0.178060D+02  0.991776D+01  0.209712D+02 -0.303224D-01
      6   0.469687D+01  0.110537D+01  0.556838D+01  0.239131D+01 -0.180663D+01
               191           192           193           194           195 
      1  -0.652508D+01  0.260457D+01 -0.100492D+02 -0.818741D+01  0.746585D+01
      2   0.402927D+01 -0.922030D+00  0.322398D+01  0.134281D+02 -0.478863D+01
      3   0.249580D+01 -0.168254D+01  0.682526D+01 -0.524072D+01 -0.267722D+01
      4   0.225335D+01  0.297338D+00  0.147580D+02 -0.321785D+02  0.194951D+02
      5  -0.268877D-01  0.184056D+01 -0.706843D+01  0.191957D+02 -0.177173D+02
      6  -0.127602D+01  0.100135D+01  0.438519D+01 -0.172080D+02  0.145540D+02
               196           197           198           199           200 
      1   0.424328D+01  0.813273D+01 -0.480295D+01 -0.790902D+00  0.171196D+01
      2  -0.281915D+01 -0.551476D+01 -0.152587D+01 -0.469227D+00  0.731616D-02
      3  -0.142413D+01 -0.261798D+01  0.632882D+01  0.126013D+01 -0.171928D+01
      4  -0.600003D+01  0.201543D+02 -0.159122D+02  0.333217D+01  0.500204D+01
      5   0.114762D+02 -0.160306D+02  0.219222D+02 -0.136574D+01 -0.214194D+01
      6  -0.370407D+01  0.142165D+02 -0.142230D+02 -0.225656D+01 -0.970039D+00
               201           202           203           204           205 
      1  -0.133196D+01  0.250711D+01 -0.119023D+02  0.659930D+01 -0.112150D+01
      2   0.512815D+00 -0.218469D+00  0.106240D+02 -0.193120D+01  0.358191D+01
      3   0.819141D+00 -0.228864D+01  0.127836D+01 -0.466810D+01 -0.246041D+01
      4  -0.115192D+01  0.489347D+01  0.831177D+01 -0.344828D+01 -0.722786D+00
      5   0.162064D+01 -0.268209D+01 -0.492175D+01  0.321921D+01  0.190116D+01
      6   0.593728D+00 -0.108269D+01 -0.111414D+02  0.696273D+01  0.195135D+01
               206           207           208           209           210 
      1   0.517177D+01 -0.208809D+01 -0.111577D+01 -0.197350D+01  0.712959D+00
      2  -0.245134D+01  0.784285D+00  0.266221D+01  0.131624D+01 -0.365470D+00
      3  -0.272043D+01  0.130380D+01 -0.154644D+01  0.657268D+00 -0.347489D+00
      4  -0.174442D+01  0.815097D+00 -0.185742D+01  0.444252D+01 -0.130321D+01
      5   0.217565D+01 -0.819321D+00  0.919973D+00 -0.713481D+00  0.666936D+00
      6   0.517959D+01 -0.427245D+01 -0.118329D+01  0.964059D+00 -0.133235D+00
               211           212           213           214           215 
      1  -0.501430D+01 -0.187964D+02  0.440034D+01  0.277784D+01  0.581471D+01
      2   0.273722D+01  0.239637D+02 -0.409506D+01 -0.283454D+00 -0.612399D+01
      3   0.227708D+01 -0.516736D+01 -0.305278D+00 -0.249439D+01  0.309283D+00
      4   0.281166D+01 -0.168220D+02  0.382929D+01 -0.223296D+01  0.598693D+01
      5  -0.939863D+00  0.310051D+01 -0.263976D+01 -0.670339D+00 -0.238986D+01
      6   0.724244D+00 -0.346374D+01  0.496989D+01  0.144984D+01  0.401772D+01
               216           217           218           219           220 
      1  -0.459121D+01  0.500044D+01  0.507640D+01 -0.606939D+01  0.370398D+01
      2   0.350376D+01 -0.421818D+01 -0.417573D+01  0.197007D+01 -0.200160D+01
      3   0.108746D+01 -0.782251D+00 -0.900668D+00  0.409932D+01 -0.170238D+01
      4  -0.298648D+01  0.178450D+01 -0.316873D+01 -0.928225D+00  0.186051D+01
      5   0.213516D+01 -0.333116D+01  0.507532D+00  0.214048D+00 -0.409182D-01
      6  -0.327377D+01 -0.197321D+01  0.959968D+00 -0.206429D+01 -0.971888D+00
               221           222           223           224           225 
      1  -0.686347D+01  0.372028D+01 -0.911270D+01  0.360549D+01 -0.160724D+02
      2   0.480282D+01 -0.292493D+01  0.543321D+01 -0.169104D+01 -0.750903D+01
      3   0.206066D+01 -0.795354D+00  0.367949D+01 -0.191445D+01  0.235814D+02
      4   0.594508D+01 -0.552511D+01 -0.940473D+01 -0.140189D+02  0.119750D+02
      5  -0.581981D+01  0.613184D+01  0.105763D+02  0.137257D+02 -0.456030D+02
      6  -0.409785D+01  0.811618D+01  0.358056D+01  0.115610D+02 -0.221518D+02
               226           227           228           229           230 
      1   0.846477D+02  0.196438D+02  0.538525D+01  0.887921D+01  0.821079D+01
      2  -0.381753D+02 -0.522969D+01 -0.204745D+01 -0.497562D+00 -0.563505D+00
      3  -0.464723D+02 -0.144142D+02 -0.333781D+01 -0.838165D+01 -0.764729D+01
      4   0.413507D+02  0.222907D+02  0.300001D+01  0.152688D+02  0.980043D+01
      5   0.105265D+01  0.624222D+00  0.122414D+02  0.522999D+00  0.185152D+01
      6   0.253909D+01  0.347401D+00  0.419085D+01 -0.202435D+00  0.112831D+01
               231           232           233           234           235 
      1   0.207814D+00  0.128211D+02  0.265030D+01  0.735754D+01 -0.614910D+01
      2   0.107142D+01 -0.597130D+01  0.461234D+00 -0.459221D+01  0.623148D+01
      3  -0.127923D+01 -0.684981D+01 -0.311153D+01 -0.276533D+01 -0.823750D-01
      4   0.235749D+01  0.712422D+01  0.544308D+01  0.582433D+01 -0.112978D+01
      5   0.202710D+01  0.111659D+02  0.431896D+01  0.210500D+01  0.440690D+01
      6   0.185445D+01  0.384595D+01  0.267371D+01  0.704145D+00  0.317699D+01
               236           237           238           239           240 
      1   0.150559D+02  0.747517D+01  0.156671D+02 -0.225612D+02 -0.737507D+01
      2  -0.160454D+02 -0.566439D+01 -0.104859D+02  0.296526D+02  0.890051D+01
      3   0.989538D+00 -0.181078D+01 -0.518119D+01 -0.709140D+01 -0.152544D+01
      4  -0.999140D+01  0.176196D+00  0.247713D+01  0.223427D+02  0.558327D+01
      5  -0.161023D+01 -0.494454D+01 -0.280276D+01  0.710152D+01  0.852209D+01
      6  -0.323415D+01 -0.462786D+01 -0.191242D+01  0.714166D+01  0.724631D+01
               241           242           243 
      1   0.922133D+01 -0.878454D+01 -0.107589D+02
      2  -0.491029D+01  0.118391D+02  0.708359D+01
      3  -0.431104D+01 -0.305455D+01  0.367534D+01
      4   0.320274D+01  0.113220D+02  0.695632D+01
      5  -0.797685D+00  0.886828D+01  0.440930D+01
      6  -0.180390D+01  0.924947D+01  0.571389D+01
 Leave Link  716 at Fri Aug 13 11:40:56 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163171D+03 -0.622358D+01  0.764306D+01
      2  -0.622358D+01  0.117038D+03 -0.412760D+01
      3   0.764306D+01 -0.412760D+01  0.101706D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.394442D+01 -0.362384D+01 -0.806703D+01
      2   0.450935D+02 -0.165650D+02 -0.283765D+02
      3  -0.395370D+00  0.200608D+02  0.135667D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.520329D+02 -0.177352D+02  0.407677D+02
      2  -0.135504D+02  0.189257D+02 -0.138938D+02
      3  -0.384825D+02 -0.119041D+01 -0.268739D+02
      4   0.458320D+01 -0.350640D+02 -0.373325D+02
      5   0.324708D+02 -0.372129D+02 -0.736458D+02
      6  -0.156685D+02  0.196935D+01  0.226574D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.135833D+01 -0.246945D+00 -0.448072D+01  0.733402D+00  0.578513D+00
      2  -0.246945D+00  0.592775D+00  0.248957D+01  0.578513D+00 -0.295534D+01
      3  -0.448072D+01  0.248957D+01  0.154189D+01  0.231988D+01  0.317028D+01
                 6             7             8             9            10 
      1   0.231988D+01 -0.574434D+01  0.272120D+01  0.176835D+01 -0.158864D+02
      2   0.317028D+01  0.272120D+01  0.330621D+01 -0.174997D+01  0.256148D+01
      3  -0.796570D+00  0.176835D+01 -0.174997D+01 -0.208842D+01  0.481406D+01
                11            12            13            14            15 
      1   0.256148D+01  0.481406D+01  0.906279D+01 -0.291685D+01 -0.253455D+01
      2  -0.201732D+01 -0.221786D+01 -0.291685D+01  0.385005D+01 -0.319394D+01
      3  -0.221786D+01 -0.102949D+01 -0.253455D+01 -0.319394D+01  0.151525D+01
                16            17            18            19            20 
      1   0.181133D+02 -0.371636D+01 -0.322956D+01  0.332393D+02 -0.426329D+01
      2  -0.371636D+01 -0.271823D+01  0.174463D+01 -0.426329D+01  0.262635D+01
      3  -0.322956D+01  0.174463D+01  0.546799D+00 -0.621029D+00  0.874497D+00
                21            22            23            24            25 
      1  -0.621029D+00 -0.116282D+02  0.372495D+01  0.155234D+01 -0.562574D+01
      2   0.874497D+00  0.372495D+01  0.173895D+01 -0.184400D+01  0.209538D+01
      3   0.202551D+01  0.155234D+01 -0.184400D+01 -0.218082D+01  0.562824D+01
                26            27            28            29            30 
      1   0.209538D+01  0.562824D+01 -0.497285D+02  0.572241D+01 -0.490273D+01
      2  -0.241131D+01 -0.244170D+01  0.572241D+01 -0.229969D+01  0.888834D-01
      3  -0.244170D+01  0.478540D+01 -0.490273D+01  0.888834D-01 -0.216758D+01
                31            32            33            34            35 
      1   0.146051D+02 -0.543564D+01  0.131351D+01 -0.151794D+02  0.117837D+00
      2  -0.543564D+01 -0.151593D+01  0.118300D+01  0.117837D+00  0.144051D+01
      3   0.131351D+01  0.118300D+01  0.833535D+00 -0.705971D+01  0.905796D+00
                36            37            38            39            40 
      1  -0.705971D+01  0.496709D+02 -0.717314D+01  0.777743D+01 -0.103398D+02
      2   0.905796D+00 -0.717314D+01  0.148620D+01 -0.555469D+00  0.416414D+01
      3  -0.529466D+01  0.777743D+01 -0.555469D+00  0.280636D+01 -0.576168D+00
                41            42            43            44            45 
      1   0.416414D+01 -0.576168D+00  0.158939D+02 -0.110849D+01  0.622347D+01
      2   0.201261D+01 -0.187709D+01 -0.110849D+01 -0.214765D+01 -0.101986D+01
      3  -0.187709D+01 -0.111388D+01  0.622347D+01 -0.101986D+01  0.303539D+01
                46            47            48            49            50 
      1  -0.361535D+02  0.676203D+01 -0.809910D+01  0.731050D+01 -0.336153D+01
      2   0.676203D+01 -0.185042D+01  0.216459D+01 -0.336153D+01 -0.130897D+01
      3  -0.809910D+01  0.216459D+01 -0.185575D+01  0.312376D+01  0.353110D-01
                51            52            53            54            55 
      1   0.312376D+01 -0.119749D+02  0.318929D+01 -0.298065D+01  0.296894D+02
      2   0.353110D-01  0.318929D+01  0.245405D+00  0.947704D+00 -0.618496D+01
      3   0.115020D+01 -0.298065D+01  0.947704D+00 -0.136283D+01  0.610668D+01
                56            57            58            59            60 
      1  -0.618496D+01  0.610668D+01 -0.199527D+02  0.667625D+01 -0.428328D+01
      2   0.311739D+01 -0.148138D+01  0.667625D+01 -0.541040D+01  0.218269D+01
      3  -0.148138D+01  0.263193D+01 -0.428328D+01  0.218269D+01 -0.223210D+01
                61            62            63            64            65 
      1   0.134464D+02 -0.222407D+01  0.669674D+01  0.236054D+01 -0.199759D+00
      2  -0.222407D+01  0.135155D+01 -0.270803D+01 -0.199759D+00  0.122070D+01
      3   0.669674D+01 -0.270803D+01  0.469683D+01 -0.422730D+01  0.256546D+01
                66            67            68            69            70 
      1  -0.422730D+01  0.796655D-01  0.217281D+01  0.239227D+01 -0.700560D+01
      2   0.256546D+01  0.217281D+01 -0.108267D+01  0.445211D+01  0.252902D+01
      3   0.879818D+00  0.239227D+01  0.445211D+01 -0.945582D+00  0.263039D+01
                71            72            73            74            75 
      1   0.252902D+01  0.263039D+01  0.564271D+01  0.200507D+01 -0.322568D+01
      2   0.414054D+01 -0.138334D+01  0.200507D+01  0.570420D+00 -0.165700D+01
      3  -0.138334D+01  0.103173D+01 -0.322568D+01 -0.165700D+01 -0.198484D+01
                76            77            78            79            80 
      1   0.320668D+01  0.657138D-01 -0.195788D+01 -0.404824D+01 -0.941504D+00
      2   0.657138D-01 -0.477577D+01  0.306977D+01 -0.941504D+00  0.276264D+01
      3  -0.195788D+01  0.306977D+01  0.929082D+00 -0.208203D+01  0.123021D+01
                81            82            83            84            85 
      1  -0.208203D+01  0.367929D+00  0.138872D+01  0.923235D+00  0.645633D+00
      2   0.123021D+01  0.138872D+01 -0.231018D+01  0.259327D+01 -0.239194D+01
      3  -0.119569D+01  0.923235D+00  0.259327D+01  0.259667D+01  0.221594D+01
                86            87            88            89            90 
      1  -0.239194D+01  0.221594D+01  0.116708D+00  0.359246D+01  0.258306D+01
      2   0.671503D-01  0.146919D+01  0.359246D+01  0.159708D+01 -0.818879D+00
      3   0.146919D+01 -0.491913D+00  0.258306D+01 -0.818879D+00 -0.138474D+01
                91            92            93            94            95 
      1  -0.799217D+01 -0.184271D+01 -0.206540D+01  0.424867D+00  0.345126D+01
      2  -0.184271D+01  0.326007D+01 -0.126187D+00  0.345126D+01  0.386743D+00
      3  -0.206540D+01 -0.126187D+00  0.145988D+01 -0.192694D+00 -0.142621D+01
                96            97            98            99           100 
      1  -0.192694D+00 -0.326462D+01 -0.376841D+00  0.406466D+00 -0.817303D+01
      2  -0.142621D+01 -0.376841D+00 -0.155358D+01 -0.198683D+01 -0.273081D+01
      3  -0.127738D+01  0.406466D+00 -0.198683D+01  0.427144D+01  0.337847D+01
               101           102           103           104           105 
      1  -0.273081D+01  0.337847D+01 -0.150610D+01 -0.186346D+01  0.938258D+00
      2  -0.238115D+01  0.129370D+01 -0.186346D+01 -0.133846D+01  0.689799D+00
      3   0.129370D+01 -0.221150D+01  0.938258D+00  0.689799D+00 -0.809282D+00
               106           107           108           109           110 
      1   0.130372D+01  0.868513D+00 -0.161801D+01  0.154969D+01 -0.400513D+00
      2   0.868513D+00  0.446111D+00 -0.962089D+00 -0.400513D+00  0.971474D+00
      3  -0.161801D+01 -0.962089D+00  0.193261D+01  0.148625D+01 -0.166084D+00
               111           112           113           114           115 
      1   0.148625D+01  0.211320D+00  0.196917D+00  0.134311D+00  0.108026D+01
      2  -0.166084D+00  0.196917D+00  0.179784D-01  0.544624D+00 -0.280342D-01
      3   0.296523D+01  0.134311D+00  0.544624D+00 -0.273241D+00  0.127438D+01
               116           117           118           119           120 
      1  -0.280342D-01  0.127438D+01 -0.456988D+01  0.983692D+00 -0.173266D+01
      2   0.121677D+01 -0.971597D+00  0.983692D+00 -0.538908D+00  0.168173D+00
      3  -0.971597D+00  0.619545D+01 -0.173266D+01  0.168173D+00 -0.180617D+01
               121           122           123           124           125 
      1   0.485279D+01 -0.957963D+00  0.352186D+00 -0.307709D+01 -0.615547D-01
      2  -0.957963D+00  0.420808D+00 -0.113484D+01 -0.615547D-01 -0.994269D+00
      3   0.352186D+00 -0.113484D+01  0.138703D+01 -0.322492D+01  0.114674D+01
               126           127           128           129           130 
      1  -0.322492D+01  0.241789D+01 -0.179714D+01 -0.452585D+00 -0.141414D+01
      2   0.114674D+01 -0.179714D+01  0.348577D+01 -0.127177D+00  0.175770D+01
      3  -0.868857D+01 -0.452585D+00 -0.127177D+00  0.401080D+00 -0.224785D+00
               131           132           133           134           135 
      1   0.175770D+01 -0.224785D+00  0.256008D+00 -0.512773D+00 -0.182330D-01
      2  -0.543059D+01 -0.247520D+00 -0.512773D+00  0.659273D+00 -0.816759D+00
      3  -0.247520D+00 -0.749593D+00 -0.182330D-01 -0.816759D+00  0.273942D+00
               136           137           138           139           140 
      1  -0.366141D+01 -0.231967D+01 -0.164364D+01 -0.154723D+01 -0.173014D+01
      2  -0.231967D+01 -0.247247D+01 -0.161553D+01 -0.173014D+01 -0.325425D+01
      3  -0.164364D+01 -0.161553D+01 -0.215039D+01 -0.113504D+01 -0.186983D+01
               141           142           143           144           145 
      1  -0.113504D+01 -0.213132D+01 -0.179503D+01 -0.184255D+01  0.523533D+00
      2  -0.186983D+01 -0.179503D+01 -0.266607D+01 -0.197737D+01  0.962600D+00
      3  -0.147139D+01 -0.184255D+01 -0.197737D+01 -0.280378D+01  0.439286D-01
               146           147           148           149           150 
      1   0.962600D+00  0.439286D-01  0.875493D+00  0.252917D+00 -0.292678D+00
      2   0.563686D+00 -0.411052D+00  0.252917D+00  0.760690D+01 -0.156367D+01
      3  -0.411052D+00 -0.485108D-01 -0.292678D+00 -0.156367D+01  0.156749D+01
               151           152           153           154           155 
      1  -0.365036D+00 -0.313316D+00 -0.440606D-01  0.558641D+01 -0.235330D+00
      2  -0.313316D+00 -0.374930D+01  0.156543D+01 -0.235330D+00  0.142301D+01
      3  -0.440606D-01  0.156543D+01 -0.139279D+01  0.186683D+01  0.380174D+00
               156           157           158           159           160 
      1   0.186683D+01 -0.113805D+01  0.747561D+00 -0.152605D+00  0.169396D+01
      2   0.380174D+00  0.747561D+00 -0.205807D+00 -0.144558D+00  0.134783D+00
      3   0.200268D+01 -0.152605D+00 -0.144558D+00 -0.445777D+00  0.142205D+01
               161           162           163           164           165 
      1   0.134783D+00  0.142205D+01 -0.413652D+01  0.180887D+01  0.300354D+01
      2   0.264164D+00  0.440661D+00  0.180887D+01 -0.226922D+01 -0.181065D+01
      3   0.440661D+00  0.232151D+01  0.300354D+01 -0.181065D+01 -0.319547D+01
               166           167           168           169           170 
      1   0.544835D+00 -0.120033D+01 -0.919815D+00  0.276395D+01 -0.154047D+01
      2  -0.120033D+01  0.181778D+01  0.101345D+01 -0.154047D+01  0.169847D+01
      3  -0.919815D+00  0.101345D+01  0.104747D+01 -0.287976D+01  0.234781D+01
               171           172           173           174           175 
      1  -0.287976D+01 -0.724910D+01  0.188101D+01  0.233505D+01  0.186490D+01
      2   0.234781D+01  0.188101D+01 -0.134866D+01 -0.754835D+00 -0.181346D+01
      3   0.486169D+01  0.233505D+01 -0.754835D+00 -0.170851D+01 -0.675410D+00
               176           177           178           179           180 
      1  -0.181346D+01 -0.675410D+00  0.621896D+01 -0.166663D+01 -0.246665D+01
      2   0.125222D+01  0.182901D+00 -0.166663D+01  0.100960D+01  0.883574D+00
      3   0.182901D+00  0.639188D+00 -0.246665D+01  0.883574D+00  0.231439D+01
               181           182           183           184           185 
      1  -0.245898D+01 -0.136342D+01 -0.100436D+01 -0.318712D+01 -0.159568D+01
      2  -0.136342D+01 -0.101786D+01 -0.928866D+00 -0.159568D+01 -0.312546D+01
      3  -0.100436D+01 -0.928866D+00 -0.119507D+01 -0.174838D+01 -0.199054D+01
               186           187           188           189           190 
      1  -0.174838D+01 -0.153202D+01 -0.106474D+01 -0.197652D+01 -0.153024D+00
      2  -0.199054D+01 -0.106474D+01 -0.191082D+01 -0.124830D+01  0.600882D+00
      3  -0.206045D+01 -0.197652D+01 -0.124830D+01 -0.275354D+01 -0.127470D+00
               191           192           193           194           195 
      1   0.600882D+00 -0.127470D+00  0.186974D+01 -0.157140D+01  0.722809D+00
      2   0.326321D+00 -0.373202D+00 -0.157140D+01  0.515070D+01 -0.310377D+01
      3  -0.373202D+00  0.295399D+00  0.722809D+00 -0.310377D+01  0.276071D+01
               196           197           198           199           200 
      1  -0.740008D+00  0.614648D+00 -0.123277D+01 -0.363142D+00  0.132016D+01
      2   0.614648D+00 -0.315112D+01  0.260612D+01  0.132016D+01  0.860562D+00
      3  -0.123277D+01  0.260612D+01 -0.347550D+01 -0.747886D+00 -0.235291D+00
               201           202           203           204           205 
      1  -0.747886D+00  0.157851D+01  0.105660D+01 -0.522538D-01 -0.206972D+01
      2  -0.235291D+00  0.105660D+01  0.531501D+01 -0.185976D+01  0.297481D+00
      3  -0.676762D-01 -0.522538D-01 -0.185976D+01  0.149671D+01  0.803323D+00
               206           207           208           209           210 
      1   0.297481D+00  0.803323D+00  0.566108D+00 -0.101533D+01  0.490379D+00
      2  -0.160727D+01  0.996990D+00 -0.101533D+01 -0.200096D+00 -0.544416D-02
      3   0.996990D+00 -0.620178D+00  0.490379D+00 -0.544416D-02  0.142598D+00
               211           212           213           214           215 
      1  -0.195748D+01 -0.482328D+00 -0.790819D-01  0.899712D+00 -0.207001D+00
      2  -0.482328D+00 -0.601548D+01  0.147775D+01 -0.207001D+00  0.190326D+01
      3  -0.790819D-01  0.147775D+01 -0.122966D+01 -0.243189D+00 -0.952026D+00
               216           217           218           219           220 
      1  -0.243189D+00  0.115720D+01  0.167730D+00 -0.523535D+00  0.923196D+00
      2  -0.952026D+00  0.167730D+00 -0.888366D+00  0.157189D+00  0.755233D-02
      3   0.671204D+00 -0.523535D+00  0.157189D+00 -0.510972D+00  0.125877D-01
               221           222           223           224           225 
      1   0.755233D-02  0.125877D-01 -0.203786D+01 -0.944757D+00  0.818407D+00
      2   0.108002D+01 -0.929276D+00 -0.944757D+00 -0.210725D+01  0.201532D+01
      3  -0.929276D+00  0.990654D+00  0.818407D+00  0.201532D+01 -0.705475D+01
               226           227           228           229           230 
      1   0.987418D+01  0.281947D+01  0.632626D+00  0.143575D+01  0.111633D+01
      2   0.281947D+01  0.184981D+01  0.181113D+00  0.111633D+01  0.828631D+00
      3   0.632626D+00  0.181113D+00  0.122485D+01  0.138301D+00  0.333373D+00
               231           232           233           234           235 
      1   0.138301D+00  0.159238D+01  0.516092D+00  0.109788D+01 -0.761795D+00
      2   0.333373D+00  0.516092D+00  0.661289D+00  0.548046D+00  0.788908D+00
      3   0.269642D+00  0.109788D+01  0.548046D+00  0.150577D+00  0.995625D+00
               236           237           238           239           240 
      1   0.788908D+00  0.995625D+00  0.244574D+01 -0.648487D+00 -0.391540D+00
      2  -0.276019D+01 -0.490600D+00 -0.648487D+00  0.487358D+01  0.138075D+01
      3  -0.490600D+00 -0.104197D+01 -0.391540D+00  0.138075D+01  0.149067D+01
               241           242           243 
      1   0.141663D+01 -0.175143D+00 -0.454163D+00
      2  -0.175143D+00  0.231398D+01  0.165774D+01
      3  -0.454163D+00  0.165774D+01  0.102648D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.100561D+02 -0.486321D+01  0.345077D+00 -0.253245D+01 -0.120189D+02
      2   0.134996D+02 -0.289911D+01  0.512443D+01 -0.536225D+01 -0.486657D+01
      3  -0.582307D+01 -0.319977D+01 -0.532672D+01  0.428890D+01 -0.408261D+01
                 6             7             8             9            10 
      1   0.408651D+01 -0.896129D+00  0.115695D+02  0.278355D+01 -0.100191D+02
      2  -0.146522D+01  0.166566D+00 -0.933866D+00  0.167805D+01 -0.300049D+02
      3   0.980120D+01 -0.491562D+01  0.114408D+02  0.558477D-01  0.441368D+01
                11            12            13            14            15 
      1   0.337121D+01  0.172570D+01  0.280472D+01  0.539209D+01 -0.764221D+01
      2   0.816564D+01  0.580241D+01  0.175369D+02  0.612367D+01 -0.412605D+01
      3  -0.789044D+01 -0.341699D+01  0.103190D+01  0.632813D+01 -0.109480D+02
                16            17            18            19            20 
      1   0.853406D+01  0.400769D+00  0.148192D+00  0.106590D+02 -0.411326D+01
      2   0.149662D+02 -0.447079D+01 -0.426734D+01  0.342947D+02 -0.570256D+01
      3  -0.331992D+01 -0.122079D+02  0.263150D+01 -0.477611D+01 -0.150697D+01
                21            22            23            24            25 
      1  -0.241612D+01 -0.787192D+01 -0.524610D+01  0.208974D+00 -0.973746D+01
      2   0.133590D+01 -0.163789D+02  0.554896D+01  0.393585D+01 -0.185464D+02
      3   0.117037D+01  0.108796D+02 -0.394345D-01 -0.201398D+01 -0.452139D+00
                26            27            28            29            30 
      1   0.750079D+01  0.249153D+01 -0.117298D+02  0.141000D+01  0.645653D+00
      2   0.459539D+01  0.440562D+01 -0.351354D+02  0.274202D+01 -0.756941D+01
      3  -0.112490D+00 -0.208175D+01  0.589308D+01  0.315372D+01  0.279788D+01
                31            32            33            34            35 
      1   0.264437D+01  0.330890D+01 -0.223280D+01  0.249551D+01  0.222692D+01
      2   0.820430D+01 -0.338874D+01  0.137402D+01 -0.434956D+02  0.357954D+01
      3   0.182461D+02 -0.212807D+01  0.178137D+01  0.882091D+01  0.583717D+00
                36            37            38            39            40 
      1  -0.125716D+01  0.969903D+01 -0.132109D+01 -0.147715D+01 -0.802116D+01
      2  -0.118025D+02  0.411817D+02 -0.436050D+01  0.133833D+02 -0.571941D+01
      3   0.108317D+01  0.106217D+01 -0.687395D+01 -0.179124D+01  0.736268D+01
                41            42            43            44            45 
      1   0.595664D+00 -0.206799D+01 -0.273689D+01  0.157712D+01 -0.124771D+00
      2  -0.115152D+01  0.148858D+01  0.146061D+02 -0.247666D+00  0.800712D+01
      3  -0.104886D+02  0.558594D+01 -0.626512D+01  0.396358D+01 -0.140324D+01
                46            47            48            49            50 
      1  -0.807089D+01 -0.141570D+01  0.655112D+01 -0.136720D+01  0.840716D+01
      2  -0.240748D+02  0.415247D+01 -0.177968D+02  0.261566D+01 -0.166148D+01
      3  -0.750527D+01  0.866720D+01  0.276122D+01  0.175214D+02  0.358809D+01
                51            52            53            54            55 
      1   0.312728D+01  0.312788D+01  0.127401D+02 -0.464958D+01  0.425827D+01
      2   0.361179D+01 -0.281661D+02 -0.360506D-01 -0.100241D+02  0.188560D+02
      3   0.256929D+01  0.109852D+01  0.566779D+01 -0.167164D+01  0.324061D+01
                56            57            58            59            60 
      1   0.182157D+01 -0.787223D+00 -0.182914D+01 -0.309259D+01 -0.475466D+01
      2  -0.428238D+01  0.185269D+02 -0.122642D+02  0.697542D+01 -0.119348D+02
      3  -0.169032D+02  0.373875D+00 -0.667662D+01  0.172567D+02 -0.436013D+01
                61            62            63            64            65 
      1   0.216114D+01  0.308447D+00  0.272675D+01  0.340167D+01 -0.326909D+01
      2   0.170185D+02 -0.601550D+01  0.170216D+02  0.156101D+02 -0.938308D+01
      3  -0.800374D+00 -0.866601D+01  0.488214D+01  0.267360D+01  0.262600D+01
                66            67            68            69            70 
      1  -0.349898D+01 -0.475161D+01 -0.347245D+01 -0.415111D+01 -0.581982D+01
      2  -0.581517D+01 -0.856527D+01 -0.154822D+02  0.537212D+01 -0.183077D+02
      3   0.630618D+01  0.125993D+02 -0.271840D+01  0.201391D+02  0.583620D+01
                71            72            73            74            75 
      1   0.639728D+00 -0.456481D+00 -0.261215D+00 -0.319244D+01 -0.721014D+01
      2   0.773728D+01 -0.316290D+01  0.428515D+01 -0.146046D+01  0.126282D+02
      3   0.191087D+02 -0.301185D+01  0.294701D+00 -0.481614D+01 -0.399103D+00
                76            77            78            79            80 
      1   0.545411D+00 -0.294929D+01  0.523576D+01 -0.518934D+01  0.105049D+02
      2   0.270913D+01 -0.708263D+01  0.703206D+00  0.281144D+01 -0.597845D+00
      3   0.643590D+00 -0.120726D+02  0.108777D+02 -0.743316D-01  0.103811D+02
                81            82            83            84            85 
      1   0.153006D+01  0.602414D+00  0.984520D+01  0.741743D+01  0.130565D+02
      2   0.678384D+01 -0.139456D+00 -0.188227D+01 -0.462718D+00 -0.314283D+01
      3   0.778451D+01  0.213240D+01 -0.125148D+02  0.202208D+01 -0.439517D+01
                86            87            88            89            90 
      1   0.453380D+01 -0.707263D+01  0.520133D+01 -0.196783D+01 -0.408620D+01
      2  -0.333055D+01  0.183636D+01 -0.706703D+01  0.289051D+01  0.257934D+01
      3   0.594617D+01 -0.367613D+01  0.318205D+01 -0.674767D+01 -0.935074D+01
                91            92            93            94            95 
      1   0.297353D+01 -0.296526D+01 -0.467925D+01  0.233708D+00  0.271587D+01
      2  -0.972683D+01 -0.697752D+00  0.713575D+01  0.329810D+00 -0.348551D+01
      3  -0.812845D+00 -0.186942D+02 -0.293559D+01 -0.896922D+01  0.341513D+01
                96            97            98            99           100 
      1  -0.157227D+01  0.345890D+01  0.903255D+01 -0.731881D+01  0.117758D+01
      2  -0.273780D+01 -0.318767D+01 -0.777027D+01  0.151931D+02  0.168060D+01
      3   0.524224D+01 -0.181931D+01  0.730882D+01  0.969549D+01  0.411262D+01
               101           102           103           104           105 
      1  -0.256047D+01 -0.212054D+01 -0.554532D+00 -0.768562D+00 -0.177442D+01
      2  -0.603778D+00  0.414795D+01  0.114769D+01  0.110636D+00  0.122105D+01
      3  -0.542539D+01 -0.766566D+00 -0.446726D+00 -0.152399D+01 -0.151752D+00
               106           107           108           109           110 
      1  -0.946475D+00  0.445906D+00  0.150365D+01  0.110978D+01  0.255107D+01
      2  -0.130607D+01  0.116231D+01 -0.353529D+01 -0.665591D+01  0.105130D+01
      3  -0.104255D+01  0.651364D+00 -0.367378D+00 -0.343323D+01  0.141927D+01
               111           112           113           114           115 
      1   0.381244D+01  0.767500D+00  0.138400D+01 -0.703831D+00  0.193739D+01
      2  -0.807715D+01  0.529144D+00 -0.178210D+01  0.166793D+00 -0.822203D+01
      3  -0.261441D+01  0.174391D+01  0.686454D-02  0.778744D+00 -0.258387D+01
               116           117           118           119           120 
      1   0.257417D+01  0.644939D+01 -0.106218D+01  0.114290D+01 -0.354641D+00
      2   0.193056D+01 -0.154364D+02 -0.440345D+01  0.114716D+01  0.801614D+00
      3   0.178215D+01 -0.436675D+01  0.104756D+01 -0.157978D+01  0.622791D+00
               121           122           123           124           125 
      1   0.251743D+01 -0.721023D+00  0.820840D+00  0.174642D+01  0.462164D+01
      2   0.560101D+01 -0.351144D+00 -0.912975D+00 -0.355981D+01 -0.764401D+00
      3   0.978454D+00  0.663469D-01 -0.100112D+01  0.470513D+00 -0.110542D+01
               126           127           128           129           130 
      1  -0.264192D+01  0.297473D+00 -0.246864D+01  0.221877D+01 -0.126039D+01
      2   0.428883D+01  0.546975D+00  0.122285D+00  0.323242D+00  0.660013D+00
      3   0.123495D+01 -0.122775D+02  0.870641D+01  0.102222D+01  0.108409D+02
               131           132           133           134           135 
      1   0.190655D+01 -0.366840D+01  0.516200D+00 -0.873800D+00  0.141758D+01
      2   0.369672D+00 -0.347744D+00 -0.107092D+01  0.738186D+00 -0.461017D+00
      3  -0.119666D+02  0.285687D-01 -0.144418D+01  0.252240D+01 -0.128174D+01
               136           137           138           139           140 
      1  -0.249234D+01 -0.176652D+01 -0.501929D+01 -0.158600D+01 -0.223487D+01
      2  -0.114707D+01  0.949759D+00  0.320108D+01  0.300274D+00  0.125819D+01
      3   0.489458D+01 -0.973238D+00  0.114089D+01  0.259511D+01 -0.236511D+01
               141           142           143           144           145 
      1  -0.317385D+01 -0.334700D+01 -0.909733D+00 -0.578684D+01  0.931597D+00
      2   0.197272D+01 -0.232151D+00  0.173257D+01  0.297287D+01 -0.859583D+00
      3  -0.208260D+00  0.261091D+01 -0.964215D+00  0.128051D+01  0.368149D+01
               146           147           148           149           150 
      1   0.174137D+01 -0.927466D+00  0.109730D+01  0.115613D+02 -0.778794D+01
      2  -0.377456D+00  0.657379D+00 -0.543224D+00  0.713943D+00 -0.130668D+01
      3   0.192305D+01 -0.919873D+00  0.521984D+01  0.132482D+02 -0.314615D+01
               151           152           153           154           155 
      1  -0.413954D+00 -0.574782D+01  0.595017D+01 -0.425097D+01  0.261486D+01
      2  -0.625623D+00 -0.127433D+01  0.162827D+01 -0.139068D+02  0.361181D+00
      3  -0.312058D+01 -0.741061D+01  0.266694D+01  0.125152D+02 -0.581360D+00
               156           157           158           159           160 
      1  -0.355016D+01  0.161144D+01 -0.876538D+00 -0.281048D+00 -0.300717D+01
      2  -0.380444D+01  0.262265D+01 -0.109344D+01  0.770767D+00 -0.698574D+01
      3   0.431634D+01  0.111033D+00  0.108754D+01 -0.676104D+00  0.410349D+01
               161           162           163           164           165 
      1   0.105426D+01 -0.333976D+01 -0.379793D+01 -0.238093D+00  0.470894D+01
      2  -0.549377D+00 -0.444788D+01 -0.882391D-01  0.188314D+01  0.388298D+01
      3  -0.787295D+00  0.351901D+01 -0.395385D+01 -0.302485D+01  0.160174D+01
               166           167           168           169           170 
      1   0.688152D+00  0.322309D+00 -0.242330D+01  0.379062D+01 -0.587217D+00
      2  -0.513713D+00 -0.414934D+00 -0.641747D+00 -0.180114D+01 -0.215125D+01
      3   0.944837D+00  0.144939D+01 -0.401291D+00  0.421955D+01  0.870987D+00
               171           172           173           174           175 
      1  -0.707117D+01 -0.336613D+01  0.862462D+00  0.257410D+01  0.134827D+01
      2  -0.595394D+01 -0.122847D+02  0.417154D+01  0.104410D+02  0.360976D+01
      3  -0.902450D+00 -0.156777D+00 -0.582904D+01 -0.100073D+01 -0.358239D+01
               176           177           178           179           180 
      1  -0.456577D+00 -0.157270D+01  0.293806D+01  0.222127D+00 -0.275483D+01
      2  -0.157809D+01 -0.349419D+01  0.102609D+02 -0.397273D+01 -0.114523D+02
      3   0.341934D+01 -0.454123D-01 -0.788262D+00  0.337397D+01  0.126409D+01
               181           182           183           184           185 
      1   0.180458D+01  0.181041D+01  0.112696D+01  0.190675D+01  0.529878D+01
      2   0.187196D+01  0.222370D+01  0.465743D+01  0.285956D+01  0.638619D+01
      3  -0.613552D+01 -0.561256D+01 -0.422910D+01 -0.544051D+01 -0.145896D+02
               186           187           188           189           190 
      1   0.146158D+01  0.200632D+01  0.407839D+01  0.208310D+01 -0.299528D+00
      2   0.719131D+01  0.386761D+01  0.398481D+01  0.869202D+01  0.106288D+01
      3  -0.850724D+01 -0.437027D+01 -0.889049D+01 -0.588287D+01  0.272302D+01
               191           192           193           194           195 
      1   0.259554D-01 -0.128920D+00 -0.109036D+00 -0.170066D+01 -0.258334D+01
      2   0.152918D+01 -0.102307D+00 -0.105054D+00  0.102077D+02 -0.982191D+01
      3   0.714732D+00 -0.125288D+01 -0.122003D+01  0.171659D+02 -0.105561D+02
               196           197           198           199           200 
      1   0.831632D+00  0.163862D+01  0.238093D+01  0.237817D-01 -0.137527D+01
      2   0.179816D+01 -0.884750D+01  0.113922D+02 -0.343094D+00  0.142246D+01
      3   0.301808D+00 -0.115676D+02  0.849250D+01  0.331111D+00 -0.208767D+00
               201           202           203           204           205 
      1  -0.428860D+00 -0.245968D+01 -0.586301D+01 -0.147063D+01 -0.514568D+01
      2  -0.505602D+00  0.242905D+01  0.101676D+01  0.655342D+00 -0.294510D+01
      3   0.253965D+00  0.290921D+01 -0.207090D+01 -0.112774D+00 -0.157382D+01
               206           207           208           209           210 
      1   0.244684D+01 -0.115741D+01  0.127885D+01 -0.333070D-01 -0.592174D-01
      2   0.671154D-01  0.410173D+00  0.218246D+01 -0.449516D+00  0.419752D+00
      3   0.658866D+00 -0.919085D+00  0.207562D+01  0.993148D+00 -0.436635D+00
               211           212           213           214           215 
      1  -0.750052D+00  0.710593D+00 -0.359980D+01 -0.203780D+01  0.285095D+00
      2  -0.317292D+00  0.349483D+01 -0.249081D+01 -0.343217D+01 -0.214948D+01
      3   0.610099D+01  0.126282D+02 -0.323284D+01 -0.152140D+01 -0.387472D+01
               216           217           218           219           220 
      1   0.550710D+00  0.536307D-02 -0.133322D+00  0.127167D+01 -0.106468D+01
      2   0.958293D+00 -0.144651D+01  0.641949D+00 -0.176663D+01  0.147929D+01
      3   0.201006D+01 -0.652732D+00  0.247062D+01 -0.172605D+01  0.684177D+00
               221           222           223           224           225 
      1   0.910845D+00 -0.186705D+01 -0.165738D+01 -0.172428D+01  0.119424D+02
      2  -0.298816D+01  0.316005D+01  0.340498D+00  0.669462D+01 -0.239741D+02
      3  -0.418876D+01  0.301156D+01 -0.247223D+00  0.561279D+01 -0.700553D+01
               226           227           228           229           230 
      1  -0.225500D+01 -0.713381D+00 -0.226652D+01 -0.682817D+00 -0.712017D+00
      2   0.600159D+01  0.174666D+01  0.675218D+01  0.130548D+01  0.155493D+01
      3   0.389731D+01 -0.522547D+01  0.534916D+00  0.270938D+00 -0.127826D+01
               231           232           233           234           235 
      1  -0.128699D+01 -0.114953D+01  0.216307D-01 -0.391715D+00 -0.673934D+00
      2   0.133458D+01  0.309253D+01  0.168893D+01  0.115526D+01  0.296042D+01
      3  -0.105187D+01  0.477421D+00 -0.215788D+01 -0.805412D+00 -0.634885D+01
               236           237           238           239           240 
      1   0.323205D+01  0.252662D+01  0.180174D+01 -0.487092D+01 -0.411010D+01
      2  -0.227583D+01 -0.246508D+01 -0.102755D+01  0.489610D+01  0.448538D+01
      3   0.116581D+02  0.395510D+01  0.735091D+01 -0.192066D+02 -0.590495D+01
               241           242           243 
      1   0.226156D+00 -0.355116D+01 -0.298502D+01
      2  -0.157035D+01  0.609268D+01  0.352960D+01
      3   0.321759D+01 -0.943464D+01 -0.755028D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128360D+02 -0.236595D+01  0.700983D+01 -0.438640D+01  0.575680D+00
      2   0.574382D+01 -0.471048D+01 -0.144943D+01 -0.231027D+01 -0.161703D+02
      3  -0.185798D+02  0.707643D+01 -0.556040D+01  0.669667D+01  0.155946D+02
      4  -0.160870D+01 -0.248222D+01 -0.194529D+02 -0.228372D+01  0.109561D+02
      5   0.133609D+02 -0.112295D+02 -0.157382D+02 -0.958218D+01 -0.790536D+01
      6  -0.136574D+02  0.117104D+02  0.996375D+01  0.676231D+01  0.129690D+02
                 6             7             8             9            10 
      1  -0.161802D+02  0.643485D+01 -0.181503D+02 -0.162383D+01 -0.143346D+02
      2   0.210393D+02 -0.160665D+01  0.267171D+02  0.239018D+01  0.579522D+01
      3  -0.485916D+01 -0.482821D+01 -0.856677D+01 -0.766352D+00  0.853941D+01
      4  -0.313033D+01 -0.220583D+02 -0.181017D+00  0.119007D+02  0.246095D+01
      5   0.788157D+01 -0.177075D+02  0.122290D+02  0.119438D+02 -0.236443D+02
      6   0.105774D+01  0.112715D+02 -0.278174D+01 -0.667971D+01  0.791565D+01
                11            12            13            14            15 
      1   0.352069D+01 -0.172904D+02  0.881358D+01  0.974898D+01  0.123225D+02
      2  -0.154063D+01  0.432168D+01 -0.426901D+01  0.909202D+00 -0.631465D+01
      3  -0.198006D+01  0.129688D+02 -0.454457D+01 -0.106582D+02 -0.600790D+01
      4   0.662988D+01  0.118253D+02  0.807971D+01 -0.210233D+02  0.122738D+02
      5   0.942616D+01  0.274265D+01  0.100173D+02  0.169304D+02 -0.617795D+01
      6  -0.786528D+01 -0.252043D+01  0.456792D+00  0.890346D+00 -0.656648D+01
                16            17            18            19            20 
      1  -0.186240D+02  0.151343D+02 -0.154357D+01  0.273304D+02  0.356459D+01
      2   0.158814D+01 -0.134412D+02 -0.368732D+01 -0.890906D+01 -0.545969D+01
      3   0.170359D+02 -0.169309D+01  0.523089D+01 -0.184213D+02  0.189510D+01
      4   0.146946D+02  0.935072D+01 -0.673974D+01 -0.207986D+00 -0.374833D+01
      5   0.122411D+02 -0.828618D+01  0.301984D+00  0.181961D+01 -0.102215D+01
      6  -0.637651D+01 -0.128562D+01  0.185602D+01 -0.357422D+01  0.233385D+01
                21            22            23            24            25 
      1   0.548209D+01  0.301425D+01 -0.334996D+01 -0.711817D+01  0.219795D+02
      2   0.418851D+01 -0.368740D+01 -0.604800D+01 -0.188759D+00  0.605425D+01
      3  -0.967059D+01  0.673150D+00  0.939796D+01  0.730692D+01 -0.280337D+02
      4  -0.261614D+01 -0.753832D+01 -0.301706D+01  0.257388D+01 -0.943589D+01
      5  -0.338243D+01 -0.343990D+01  0.537652D+00  0.535076D+01 -0.134009D+02
      6   0.266356D+01 -0.288371D+00 -0.491038D+01  0.281252D+01  0.334934D+01
                26            27            28            29            30 
      1  -0.957439D+01  0.181464D+02 -0.103517D+03  0.937727D+01 -0.125710D+02
      2   0.511058D+01  0.849726D+01  0.408078D+02 -0.552085D+01  0.475957D+01
      3   0.446380D+01 -0.266437D+02  0.627094D+02 -0.385642D+01  0.781146D+01
      4   0.495017D+01  0.710030D+01  0.162433D+02 -0.105501D+02  0.109766D+01
      5   0.883202D+01 -0.159420D+02 -0.590532D+01 -0.654904D+00 -0.861562D+01
      6   0.503227D+00 -0.484324D+00  0.763095D+01  0.219384D+01  0.157893D+01
                31            32            33            34            35 
      1   0.400904D+02 -0.622222D+01  0.193535D+01 -0.422470D+02 -0.124037D+01
      2  -0.190645D+02  0.328435D+01 -0.130538D+00  0.105248D+02  0.358060D+01
      3  -0.210259D+02  0.293787D+01 -0.180481D+01  0.317222D+02 -0.234023D+01
      4  -0.118438D+02 -0.132584D+01  0.124117D+01  0.840222D+01 -0.282369D+01
      5   0.773628D+01  0.255095D+01  0.640662D+00 -0.973435D+01 -0.104201D+01
      6   0.155361D+01  0.902047D+01 -0.942317D+00  0.604435D+00  0.305551D+01
                36            37            38            39            40 
      1  -0.303571D+02  0.151980D+03 -0.222873D+02  0.310696D+02 -0.182722D+02
      2   0.193345D+00 -0.664484D+02  0.956241D+01 -0.114490D+02  0.412124D+01
      3   0.301637D+02 -0.855320D+02  0.127249D+02 -0.196206D+02  0.141510D+02
      4   0.334651D+01 -0.425411D+02  0.141114D+02 -0.629597D+01  0.155886D+02
      5  -0.140059D+02  0.261821D+02 -0.218424D+01  0.193560D+02  0.362879D+01
      6   0.481050D+01 -0.115760D+02 -0.903135D+00 -0.379051D+01 -0.160715D+01
                41            42            43            44            45 
      1   0.109508D+02 -0.840550D+01  0.403223D+02 -0.931717D+01  0.110434D+02
      2  -0.883327D+01  0.338157D+01 -0.181830D+02  0.806276D+01 -0.799672D+01
      3  -0.211750D+01  0.502393D+01 -0.221392D+02  0.125441D+01 -0.304665D+01
      4   0.897895D+01 -0.568602D+01 -0.574156D+01 -0.717322D+01 -0.455046D+01
      5  -0.774951D+01 -0.634991D+00  0.292101D+02 -0.504881D+01  0.761751D+01
      6   0.552102D+01  0.315922D+01 -0.966507D+01  0.595574D+01 -0.213943D-01
                46            47            48            49            50 
      1  -0.136233D+03  0.325977D+02 -0.275952D+02  0.464144D+02 -0.213552D+02
      2   0.629900D+02 -0.151238D+02  0.162086D+02 -0.289901D+02  0.492532D+01
      3   0.732427D+02 -0.174739D+02  0.113866D+02 -0.174243D+02  0.164298D+02
      4   0.595505D+02 -0.319928D+02  0.169956D+02 -0.322911D+02 -0.778813D+01
      5  -0.452944D+02  0.130437D+02 -0.265079D+02  0.245243D+02 -0.137792D+01
      6   0.171223D+02 -0.639862D+01  0.343756D+01  0.441691D+00  0.467842D+01
                51            52            53            54            55 
      1   0.150198D+02 -0.561224D+02  0.140357D+02 -0.182448D+02  0.150527D+03
      2  -0.128393D+02  0.277066D+02 -0.383348D+01  0.606244D+01 -0.739268D+02
      3  -0.218049D+01  0.284158D+02 -0.102022D+02  0.121824D+02 -0.766001D+02
      4  -0.102309D+01  0.310743D+02 -0.440891D+01  0.780105D+01 -0.604737D+02
      5   0.507776D+01 -0.153667D+02  0.557920D+01 -0.154274D+02  0.400093D+02
      6  -0.517264D+01  0.182091D+01  0.777041D+00  0.621605D+01 -0.893940D+01
                56            57            58            59            60 
      1  -0.361495D+02  0.286162D+02 -0.848529D+02  0.273187D+02 -0.144213D+02
      2   0.135187D+02 -0.181333D+02  0.349337D+02 -0.236630D+01  0.864148D+01
      3   0.226308D+02 -0.104829D+02  0.499192D+02 -0.249524D+02  0.577986D+01
      4   0.401436D+02 -0.134689D+02  0.635983D+02 -0.467652D+02  0.170879D+02
      5  -0.114745D+02  0.319747D+02 -0.253746D+02  0.144609D+02 -0.179204D+02
      6   0.447062D+01 -0.608858D+01  0.104678D+02 -0.677709D+01  0.116614D+02
                61            62            63            64            65 
      1   0.543612D+02 -0.719036D+01  0.257730D+02 -0.941770D+01  0.395702D+00
      2  -0.316576D+02  0.516705D+01 -0.217158D+02  0.332967D+01  0.234324D+01
      3  -0.227037D+02  0.202332D+01 -0.405717D+01  0.608803D+01 -0.273894D+01
      4  -0.216502D+02  0.139390D+02 -0.210210D+02  0.123057D+00 -0.756343D+01
      5   0.510054D+02 -0.195887D+02  0.371316D+02  0.325352D+02 -0.194369D+02
      6  -0.100027D+02  0.110526D+02 -0.970966D+01 -0.101296D+02  0.270910D+01
                66            67            68            69            70 
      1   0.273760D+02 -0.339134D+01 -0.480697D+01 -0.264388D+02  0.386102D+02
      2  -0.109912D+02  0.554526D+01  0.493830D+01  0.181424D+02 -0.151213D+02
      3  -0.163848D+02 -0.215392D+01 -0.131332D+00  0.829640D+01 -0.234890D+02
      4  -0.216502D+02 -0.143047D+02  0.549362D+01 -0.256888D+02 -0.235247D+02
      5  -0.702722D+01 -0.184881D+02 -0.280482D+02  0.379754D+01 -0.178126D+02
      6  -0.231935D+00 -0.161086D+01  0.973752D+01 -0.105966D+02  0.236395D+01
                71            72            73            74            75 
      1  -0.285943D+02 -0.981684D+01 -0.156965D+02 -0.120596D+02  0.193445D+02
      2   0.199508D+02  0.440149D+01  0.936881D+01  0.641228D+01  0.314912D+01
      3   0.864346D+01  0.541535D+01  0.632771D+01  0.564732D+01 -0.224937D+02
      4  -0.232790D+02  0.780092D+01 -0.208936D+02 -0.884276D+01  0.129187D+02
      5   0.675452D+01 -0.525704D+01  0.221088D+02  0.122742D+02 -0.234274D+01
      6  -0.113555D+02  0.245062D+01  0.104089D+02  0.877972D+01  0.270860D+01
                76            77            78            79            80 
      1  -0.125865D+02 -0.902857D+01  0.123219D+02  0.123218D+02  0.725096D+01
      2   0.936623D+01  0.287156D+01 -0.131217D+02  0.383091D+01 -0.666215D+01
      3   0.322032D+01  0.615702D+01  0.799816D+00 -0.161527D+02 -0.588810D+00
      4  -0.576282D+01  0.205920D+02 -0.864983D+01  0.805779D+01 -0.441050D+01
      5   0.143032D+02 -0.151329D+02 -0.599238D+01  0.170787D+01 -0.445746D+01
      6   0.144262D+01 -0.121277D+02  0.307820D+01  0.432188D+01 -0.682436D+00
                81            82            83            84            85 
      1   0.134310D+02  0.413578D+01 -0.111946D+02  0.463170D+01 -0.819172D+01
      2  -0.318995D+01 -0.658070D+01  0.171226D+02 -0.115219D+02  0.111106D+02
      3  -0.102410D+02  0.244492D+01 -0.592793D+01  0.689023D+01 -0.291890D+01
      4  -0.285434D+00 -0.463039D+01 -0.467965D+01 -0.111187D+02 -0.604133D-01
      5  -0.104460D+01 -0.584772D+01 -0.119291D+02 -0.104750D+02 -0.117239D+02
      6   0.284903D+01 -0.555551D+01 -0.131504D+02 -0.125127D+02 -0.891665D+01
                86            87            88            89            90 
      1   0.339991D+01 -0.337784D+01  0.894892D+01 -0.404787D+01 -0.121345D+02
      2  -0.706863D+00 -0.157743D+00 -0.168474D+02 -0.306839D+01  0.869229D+01
      3  -0.269305D+01  0.353558D+01  0.789851D+01  0.711627D+01  0.344217D+01
      4   0.632040D+01 -0.969268D+01 -0.117183D+02 -0.155938D+02 -0.749175D+01
      5  -0.445343D+01  0.124693D+01 -0.126978D+02 -0.198223D+01  0.277345D+01
      6  -0.162577D+01 -0.176796D+01 -0.131991D+02 -0.627443D+00  0.129394D+01
                91            92            93            94            95 
      1  -0.548738D+02 -0.269027D+02 -0.132737D+02 -0.118506D+02  0.193056D+02
      2   0.229592D+02  0.221150D+02  0.104646D+02  0.132818D+02 -0.775323D+01
      3   0.319146D+02  0.478775D+01  0.280909D+01 -0.143125D+01 -0.115524D+02
      4  -0.232558D+02  0.147261D+02 -0.520421D+01  0.191258D+02  0.114979D+02
      5  -0.117148D+02 -0.238552D+01  0.109100D+02 -0.306433D+01 -0.972244D+01
      6  -0.543482D+01  0.112665D+01  0.575966D+01 -0.106266D+01 -0.960937D+01
                96            97            98            99           100 
      1   0.289792D+01 -0.214038D+02  0.596251D+00  0.175761D+02  0.460390D+02
      2  -0.742273D+01  0.110547D+02 -0.109947D+02 -0.367703D+01 -0.241639D+02
      3   0.452480D+01  0.103491D+02  0.103984D+02 -0.138991D+02 -0.218751D+02
      4  -0.786806D+01 -0.767534D+01 -0.813712D+01 -0.975966D+01  0.326214D+02
      5  -0.563623D+01  0.417404D+01 -0.115110D+02  0.276399D+02 -0.320651D+02
      6  -0.751043D+00  0.190746D+01 -0.667536D+01  0.128642D+02 -0.127131D+02
               101           102           103           104           105 
      1   0.103765D+02 -0.135268D+02  0.854515D+01  0.577343D+01 -0.238568D+01
      2  -0.211091D+01  0.951802D+01 -0.134456D+01  0.213122D+01  0.156128D+01
      3  -0.826561D+01  0.400876D+01 -0.720059D+01 -0.790465D+01  0.824395D+00
      4   0.212482D+02 -0.136230D+02  0.171898D+02  0.123313D+02 -0.670934D+01
      5  -0.116219D+02  0.201623D+02 -0.854166D+01 -0.662441D+01  0.598622D+01
      6  -0.892568D+01  0.836109D+01 -0.714769D+01 -0.471101D+01  0.547806D+01
               106           107           108           109           110 
      1  -0.941576D+01 -0.216088D+01  0.388235D+01 -0.525337D+01  0.513112D+01
      2   0.685705D+01  0.241334D+01 -0.625986D+01 -0.140267D+01 -0.333481D+01
      3   0.255871D+01 -0.252462D+00  0.237751D+01  0.665604D+01 -0.179631D+01
      4  -0.867511D+01 -0.503991D+01  0.844715D+01 -0.379831D+00 -0.119655D+01
      5   0.157317D+02  0.684193D+01 -0.133684D+02 -0.431395D+00 -0.105086D+01
      6   0.643997D+01  0.481483D+01 -0.714891D+01 -0.416899D+01  0.334329D+01
               111           112           113           114           115 
      1  -0.144840D+02  0.175506D+01 -0.417644D+01  0.373871D+00 -0.100639D+02
      2  -0.254500D+01 -0.153492D+01  0.886062D+00 -0.125488D+01  0.102576D+01
      3   0.170290D+02 -0.220135D+00  0.329038D+01  0.881013D+00  0.903816D+01
      4  -0.266004D+01  0.136199D+01 -0.147930D+01 -0.925018D+00 -0.291619D+01
      5  -0.231549D+01 -0.137532D+01  0.481900D+00  0.609784D+00  0.240518D+01
      6  -0.738027D+01  0.156508D+01 -0.162277D+01  0.640541D+01 -0.193208D+01
               116           117           118           119           120 
      1   0.438484D+01 -0.244936D+02 -0.162301D+01  0.212568D+00 -0.150191D+01
      2  -0.120750D+01 -0.888750D+01 -0.606651D+01  0.383893D+00 -0.485257D+01
      3  -0.317734D+01  0.333811D+02  0.768952D+01 -0.596461D+00  0.635448D+01
      4  -0.384428D+01  0.139497D+01 -0.706081D+00  0.350573D+01 -0.527464D+00
      5   0.317700D+01 -0.138053D+02  0.785545D+01 -0.179410D+01  0.120368D+02
      6   0.730896D+01 -0.152933D+02 -0.525932D+00  0.922424D+00  0.117582D+00
               121           122           123           124           125 
      1   0.495239D+01 -0.481852D+01  0.362230D+01 -0.678982D+01  0.158923D+01
      2  -0.179344D+01  0.414398D-01  0.296317D+01 -0.664462D+01  0.334787D+01
      3  -0.315895D+01  0.477708D+01 -0.658546D+01  0.134344D+02 -0.493710D+01
      4   0.260243D+01 -0.101277D+01  0.307589D+01  0.917068D+00  0.293842D+01
      5  -0.235589D+01  0.369146D+01 -0.304481D+01  0.166579D+02 -0.338611D+01
      6   0.152394D+01 -0.133648D+01  0.687674D+01  0.591708D+00  0.550691D+01
               126           127           128           129           130 
      1  -0.261429D+02 -0.821115D+01  0.163503D+02  0.269191D+00  0.878731D+01
      2  -0.200603D+02  0.112303D+02 -0.232427D+02  0.813232D+00 -0.124496D+02
      3   0.462032D+02 -0.301912D+01  0.689241D+01 -0.108242D+01  0.366233D+01
      4  -0.193717D+01 -0.589639D+01  0.375249D+01  0.185843D+01  0.649592D+01
      5   0.238877D+02 -0.240023D+00  0.144536D+01  0.126799D+01  0.177344D+01
      6  -0.413483D+00  0.821283D+00  0.576179D+00 -0.256806D+01  0.915109D+00
               131           132           133           134           135 
      1  -0.240036D+02 -0.367417D+00 -0.217043D+01  0.362837D+01 -0.343788D+01
      2   0.360853D+02  0.501539D+00  0.305831D+01 -0.462233D+01  0.343723D+01
      3  -0.120817D+02 -0.134122D+00 -0.887880D+00  0.993957D+00  0.642050D-03
      4  -0.105258D+00  0.122397D+01  0.584779D+00  0.813620D+00  0.575802D+00
      5   0.313171D+00  0.795183D+00  0.254944D+01  0.114583D+01 -0.713225D+00
      6   0.701288D+00  0.598017D+01 -0.497244D+00  0.643270D+01 -0.176296D+01
               136           137           138           139           140 
      1   0.852126D+01  0.249454D+00  0.132464D+01  0.158635D+01 -0.604122D+01
      2   0.161875D+01  0.712366D+01  0.221770D+01  0.414458D+01  0.147871D+02
      3  -0.101400D+02 -0.737312D+01 -0.354234D+01 -0.573093D+01 -0.874583D+01
      4   0.207245D+02  0.195525D+02  0.114929D+02  0.147844D+02  0.179715D+02
      5   0.125224D+02  0.942373D+01  0.125000D+02  0.675015D+01  0.930828D+01
      6   0.980693D+01  0.104182D+02  0.111172D+02  0.754541D+01  0.127778D+02
               141           142           143           144           145 
      1  -0.326869D+01  0.746914D+00 -0.539889D+01 -0.316848D+01 -0.301440D+01
      2   0.656489D+01  0.242536D+01  0.893781D+01  0.141763D+01  0.402441D+01
      3  -0.329620D+01 -0.317227D+01 -0.353892D+01  0.175086D+01 -0.101001D+01
      4   0.103531D+02  0.126098D+02  0.142812D+02  0.129198D+02 -0.103216D+01
      5   0.735607D+01  0.117284D+02  0.100581D+02  0.140001D+02  0.215582D+00
      6   0.101666D+02  0.106373D+02  0.138830D+02  0.158056D+02 -0.541091D-01
               146           147           148           149           150 
      1  -0.499572D+01  0.873938D+00 -0.361846D+01 -0.234408D+02  0.404861D+01
      2   0.625442D+01 -0.149050D+01  0.327622D+01  0.454817D+02 -0.111579D+02
      3  -0.125870D+01  0.616562D+00  0.342243D+00 -0.220409D+02  0.710932D+01
      4   0.519744D+01  0.371856D+00  0.659500D+01 -0.184817D+02  0.312438D+01
      5   0.171809D+01  0.225147D+01  0.160677D+01  0.515411D+01 -0.477121D+01
      6  -0.102027D+01  0.210283D-01 -0.104152D+01 -0.146959D+01  0.796850D+01
               151           152           153           154           155 
      1   0.256737D+01  0.112649D+02 -0.387468D+01 -0.935649D+01 -0.513181D+01
      2  -0.158898D+01 -0.211763D+02  0.724554D+01 -0.212491D+01  0.590745D+01
      3  -0.978394D+00  0.991141D+01 -0.337086D+01  0.114814D+02 -0.775641D+00
      4  -0.219925D+01  0.928486D+01 -0.460289D+01  0.130118D+02 -0.424872D+00
      5   0.199883D+01 -0.517461D+01  0.353180D+01  0.619147D+01  0.422719D+00
      6  -0.557063D+00  0.675098D+01 -0.698156D+01  0.476339D+01  0.401571D+01
               156           157           158           159           160 
      1  -0.108841D+02  0.325240D+00 -0.179112D+01  0.327867D+01 -0.843184D+01
      2  -0.803306D+00  0.216592D+01  0.187271D+01 -0.490202D+00 -0.704985D+00
      3   0.116874D+02 -0.249116D+01 -0.815978D-01 -0.278847D+01  0.913682D+01
      4   0.600407D+01 -0.239146D+00  0.158021D+01  0.465784D+00  0.764772D+01
      5   0.335041D+01  0.285309D+00  0.186213D+01  0.473394D+00  0.548646D+01
      6   0.593135D+01  0.193865D+01 -0.158775D+01  0.121303D+01  0.299083D+01
               161           162           163           164           165 
      1  -0.262066D-01 -0.951215D+01  0.107023D+02  0.840682D+00 -0.168458D+01
      2  -0.528807D+00 -0.256973D+01 -0.102815D+02 -0.212006D+01  0.719509D+01
      3   0.555014D+00  0.120819D+02 -0.420780D+00  0.127938D+01 -0.551051D+01
      4   0.180630D+00  0.250356D+01 -0.173892D+02  0.147480D+02  0.142727D+02
      5  -0.159998D+01 -0.230780D-01 -0.223908D+02  0.113376D+02  0.218422D+02
      6   0.393469D+01  0.632324D+01  0.119225D+02 -0.112362D+02 -0.133676D+02
               166           167           168           169           170 
      1   0.668744D+00 -0.284798D+01 -0.171286D+01 -0.400002D+01 -0.329767D+01
      2  -0.169673D+01  0.532174D+01  0.593900D+00  0.807962D+01 -0.380533D+00
      3   0.102799D+01 -0.247376D+01  0.111896D+01 -0.407959D+01  0.367821D+01
      4   0.901169D+01 -0.992255D+01 -0.729962D+01  0.146332D+02 -0.111913D+02
      5   0.535538D+01 -0.686210D+01 -0.589986D+01  0.211435D+02 -0.123473D+02
      6  -0.701806D+01  0.727513D+01  0.920966D+01 -0.121430D+02  0.137507D+02
               171           172           173           174           175 
      1  -0.603780D+01  0.645639D+02 -0.128183D+02 -0.191085D+02 -0.124420D+02
      2  -0.950392D+01 -0.304961D+02  0.347674D+01  0.843721D+01  0.279097D+01
      3   0.155417D+02 -0.340678D+02  0.934151D+01  0.106713D+02  0.965103D+01
      4  -0.147812D+02 -0.217788D+02  0.145572D+02  0.805181D+01  0.175404D+02
      5  -0.266029D+02 -0.196885D+02  0.615888D+01  0.161369D+02  0.541925D+01
      6   0.202528D+02  0.450764D+01 -0.132307D+01 -0.320557D+01 -0.150012D+01
               176           177           178           179           180 
      1   0.890773D+01  0.539528D+01 -0.419010D+02  0.102336D+02  0.148622D+02
      2  -0.208775D+01 -0.177061D+01  0.199457D+02 -0.347433D+01 -0.868318D+01
      3  -0.681998D+01 -0.362466D+01  0.219553D+02 -0.675928D+01 -0.617900D+01
      4  -0.110968D+02 -0.311179D+01  0.166187D+02 -0.100634D+02 -0.780406D+01
      5  -0.221385D+01 -0.485666D+01  0.223935D+02 -0.700263D+01 -0.201154D+02
      6   0.714545D+00  0.403514D+01 -0.457527D+01  0.425312D+01  0.475741D+01
               181           182           183           184           185 
      1   0.202864D+02  0.100012D+02  0.733670D+01  0.230945D+02  0.797617D+01
      2  -0.126112D+02 -0.680924D+01 -0.661602D+01 -0.146518D+02 -0.542687D+01
      3  -0.767515D+01 -0.319199D+01 -0.720684D+00 -0.844268D+01 -0.254930D+01
      4   0.970911D+01  0.951789D+01  0.751084D+01  0.134514D+02  0.226728D+02
      5   0.104123D+02  0.876648D+01  0.119398D+02  0.155569D+02  0.142915D+02
      6   0.293320D+01  0.143145D+01  0.104484D+01  0.228311D+01  0.500571D+01
               186           187           188           189           190 
      1   0.101935D+02  0.109521D+02  0.704157D+01  0.882593D+01  0.577580D+00
      2  -0.102761D+02 -0.992285D+01 -0.766571D+01 -0.116544D+02  0.332240D+00
      3   0.826408D-01 -0.102926D+01  0.624147D+00  0.282845D+01 -0.909820D+00
      4   0.137160D+02  0.838806D+01  0.132647D+02  0.851052D+01 -0.335458D+01
      5   0.161754D+02  0.178060D+02  0.991776D+01  0.209712D+02 -0.303224D-01
      6   0.469687D+01  0.110537D+01  0.556838D+01  0.239131D+01 -0.180663D+01
               191           192           193           194           195 
      1  -0.652508D+01  0.260457D+01 -0.100492D+02 -0.818741D+01  0.746585D+01
      2   0.402927D+01 -0.922030D+00  0.322398D+01  0.134281D+02 -0.478863D+01
      3   0.249580D+01 -0.168254D+01  0.682526D+01 -0.524072D+01 -0.267722D+01
      4   0.225335D+01  0.297338D+00  0.147580D+02 -0.321785D+02  0.194951D+02
      5  -0.268877D-01  0.184056D+01 -0.706843D+01  0.191957D+02 -0.177173D+02
      6  -0.127602D+01  0.100135D+01  0.438519D+01 -0.172080D+02  0.145540D+02
               196           197           198           199           200 
      1   0.424328D+01  0.813273D+01 -0.480295D+01 -0.790902D+00  0.171196D+01
      2  -0.281915D+01 -0.551476D+01 -0.152587D+01 -0.469227D+00  0.731616D-02
      3  -0.142413D+01 -0.261798D+01  0.632882D+01  0.126013D+01 -0.171928D+01
      4  -0.600003D+01  0.201543D+02 -0.159122D+02  0.333217D+01  0.500204D+01
      5   0.114762D+02 -0.160306D+02  0.219222D+02 -0.136574D+01 -0.214194D+01
      6  -0.370407D+01  0.142165D+02 -0.142230D+02 -0.225656D+01 -0.970039D+00
               201           202           203           204           205 
      1  -0.133196D+01  0.250711D+01 -0.119023D+02  0.659930D+01 -0.112150D+01
      2   0.512815D+00 -0.218469D+00  0.106240D+02 -0.193120D+01  0.358191D+01
      3   0.819141D+00 -0.228864D+01  0.127836D+01 -0.466810D+01 -0.246041D+01
      4  -0.115192D+01  0.489347D+01  0.831177D+01 -0.344828D+01 -0.722786D+00
      5   0.162064D+01 -0.268209D+01 -0.492175D+01  0.321921D+01  0.190116D+01
      6   0.593728D+00 -0.108269D+01 -0.111414D+02  0.696273D+01  0.195135D+01
               206           207           208           209           210 
      1   0.517177D+01 -0.208809D+01 -0.111577D+01 -0.197350D+01  0.712959D+00
      2  -0.245134D+01  0.784285D+00  0.266221D+01  0.131624D+01 -0.365470D+00
      3  -0.272043D+01  0.130380D+01 -0.154644D+01  0.657268D+00 -0.347489D+00
      4  -0.174442D+01  0.815097D+00 -0.185742D+01  0.444252D+01 -0.130321D+01
      5   0.217565D+01 -0.819321D+00  0.919973D+00 -0.713481D+00  0.666936D+00
      6   0.517959D+01 -0.427245D+01 -0.118329D+01  0.964059D+00 -0.133235D+00
               211           212           213           214           215 
      1  -0.501430D+01 -0.187964D+02  0.440034D+01  0.277784D+01  0.581471D+01
      2   0.273722D+01  0.239637D+02 -0.409506D+01 -0.283454D+00 -0.612399D+01
      3   0.227708D+01 -0.516736D+01 -0.305278D+00 -0.249439D+01  0.309283D+00
      4   0.281166D+01 -0.168220D+02  0.382929D+01 -0.223296D+01  0.598693D+01
      5  -0.939863D+00  0.310051D+01 -0.263976D+01 -0.670339D+00 -0.238986D+01
      6   0.724244D+00 -0.346374D+01  0.496989D+01  0.144984D+01  0.401772D+01
               216           217           218           219           220 
      1  -0.459121D+01  0.500044D+01  0.507640D+01 -0.606939D+01  0.370398D+01
      2   0.350376D+01 -0.421818D+01 -0.417573D+01  0.197007D+01 -0.200160D+01
      3   0.108746D+01 -0.782251D+00 -0.900668D+00  0.409932D+01 -0.170238D+01
      4  -0.298648D+01  0.178450D+01 -0.316873D+01 -0.928225D+00  0.186051D+01
      5   0.213516D+01 -0.333116D+01  0.507532D+00  0.214048D+00 -0.409182D-01
      6  -0.327377D+01 -0.197321D+01  0.959968D+00 -0.206429D+01 -0.971888D+00
               221           222           223           224           225 
      1  -0.686347D+01  0.372028D+01 -0.911270D+01  0.360549D+01 -0.160724D+02
      2   0.480282D+01 -0.292493D+01  0.543321D+01 -0.169104D+01 -0.750903D+01
      3   0.206066D+01 -0.795354D+00  0.367949D+01 -0.191445D+01  0.235814D+02
      4   0.594508D+01 -0.552511D+01 -0.940473D+01 -0.140189D+02  0.119750D+02
      5  -0.581981D+01  0.613184D+01  0.105763D+02  0.137257D+02 -0.456030D+02
      6  -0.409785D+01  0.811618D+01  0.358056D+01  0.115610D+02 -0.221518D+02
               226           227           228           229           230 
      1   0.846477D+02  0.196438D+02  0.538525D+01  0.887921D+01  0.821079D+01
      2  -0.381753D+02 -0.522969D+01 -0.204745D+01 -0.497562D+00 -0.563505D+00
      3  -0.464723D+02 -0.144142D+02 -0.333781D+01 -0.838165D+01 -0.764729D+01
      4   0.413507D+02  0.222907D+02  0.300001D+01  0.152688D+02  0.980043D+01
      5   0.105265D+01  0.624222D+00  0.122414D+02  0.522999D+00  0.185152D+01
      6   0.253909D+01  0.347401D+00  0.419085D+01 -0.202435D+00  0.112831D+01
               231           232           233           234           235 
      1   0.207814D+00  0.128211D+02  0.265030D+01  0.735754D+01 -0.614910D+01
      2   0.107142D+01 -0.597130D+01  0.461234D+00 -0.459221D+01  0.623148D+01
      3  -0.127923D+01 -0.684981D+01 -0.311153D+01 -0.276533D+01 -0.823750D-01
      4   0.235749D+01  0.712422D+01  0.544308D+01  0.582433D+01 -0.112978D+01
      5   0.202710D+01  0.111659D+02  0.431896D+01  0.210500D+01  0.440690D+01
      6   0.185445D+01  0.384595D+01  0.267371D+01  0.704145D+00  0.317699D+01
               236           237           238           239           240 
      1   0.150559D+02  0.747517D+01  0.156671D+02 -0.225612D+02 -0.737507D+01
      2  -0.160454D+02 -0.566439D+01 -0.104859D+02  0.296526D+02  0.890051D+01
      3   0.989538D+00 -0.181078D+01 -0.518119D+01 -0.709140D+01 -0.152544D+01
      4  -0.999140D+01  0.176196D+00  0.247713D+01  0.223427D+02  0.558327D+01
      5  -0.161023D+01 -0.494454D+01 -0.280276D+01  0.710152D+01  0.852209D+01
      6  -0.323415D+01 -0.462786D+01 -0.191242D+01  0.714166D+01  0.724631D+01
               241           242           243 
      1   0.922133D+01 -0.878454D+01 -0.107589D+02
      2  -0.491029D+01  0.118391D+02  0.708359D+01
      3  -0.431104D+01 -0.305455D+01  0.367534D+01
      4   0.320274D+01  0.113220D+02  0.695632D+01
      5  -0.797685D+00  0.886828D+01  0.440930D+01
      6  -0.180390D+01  0.924947D+01  0.571389D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x         -0.135546D+01     -0.344525D+01     -0.114921D+02
   y          0.754877D+00      0.191871D+01      0.640011D+01
   z         -0.522841D+00     -0.132893D+01     -0.443283D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.156097D+03      0.231311D+02      0.257369D+02
   yx        -0.454232D+01     -0.673103D+00     -0.748928D+00
   yy         0.113939D+03      0.168841D+02      0.187861D+02
   zx         0.647779D+01      0.959910D+00      0.106804D+01
   zy        -0.398160D+01     -0.590013D+00     -0.656478D+00
   zz         0.980025D+02      0.145225D+02      0.161584D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127305D+03      0.188647D+02      0.209898D+02
   aniso      0.584226D+02      0.865734D+01      0.963259D+01
   xx         0.163171D+03      0.241794D+02      0.269033D+02
   yx        -0.622358D+01     -0.922239D+00     -0.102613D+01
   yy         0.117038D+03      0.173433D+02      0.192970D+02
   zx         0.764306D+01      0.113259D+01      0.126017D+01
   zy        -0.412760D+01     -0.611647D+00     -0.680549D+00
   zz         0.101706D+03      0.150712D+02      0.167690D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.06667301         -2.48974307          3.06040627
     6         -1.85502832          0.36453596          3.27954930
     6          0.30716853          1.73647588          1.70476399
     6          1.51936924          0.12999996         -0.25463645
     6          1.19001027          0.24521628         -2.75292087
     6          2.40750353         -1.44849845         -4.60593350
     8          1.96336560         -1.19610768         -6.84837253
     6         -1.76216538          1.17117838          6.04229431
     6         -3.80812930          1.92325358          1.73934810
     6         -1.67651150          3.70313849          0.84555525
     6          4.19227983         -3.49115380         -3.68907696
     1         -5.35530493          2.76204018          2.81087152
     1         -4.59984821          0.82766172          0.18432697
     1          1.79612826          2.48223289          2.92913049
     1         -1.67702146          4.23438129         -1.13979013
     1         -1.56153376          5.42664683          1.96392515
     1         -0.48951784         -3.44176277          3.99555626
     1         -2.11024358         -3.10015099          1.09249783
     1         -3.80812153         -3.13743886          3.96240848
     1         -3.45985660          0.54634865          7.03802592
     1         -1.63823526          3.22196652          6.23118526
     1         -0.12582657          0.34625302          6.99477331
     1          2.77774484         -1.30813145          0.49486665
     1         -0.04473129          1.63721051         -3.60562643
     1          5.77749407         -2.67329479         -2.65183902
     1          4.90098797         -4.52768878         -5.31481325
     1          3.22401474         -4.79384777         -2.41461386

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163722D+01      0.416139D+01      0.138809D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.108239D+03      0.160394D+02      0.178462D+02
   yx        -0.118505D+02     -0.175606D+01     -0.195388D+01
   yy         0.110524D+03      0.163779D+02      0.182229D+02
   zx        -0.155677D+02     -0.230689D+01     -0.256676D+01
   zy         0.805398D+01      0.119348D+01      0.132792D+01
   zz         0.149276D+03      0.221204D+02      0.246122D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127305D+03      0.188647D+02      0.209898D+02
   aniso      0.584226D+02      0.865734D+01      0.963259D+01
   xx         0.111345D+03      0.164997D+02      0.183584D+02
   yx        -0.114150D+02     -0.169153D+01     -0.188208D+01
   yy         0.113466D+03      0.168139D+02      0.187080D+02
   zx        -0.162699D+02     -0.241095D+01     -0.268254D+01
   zy         0.869628D+01      0.128866D+01      0.143382D+01
   zz         0.157104D+03      0.232804D+02      0.259029D+02

 ----------------------------------------------------------------------
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 IT WAS A GAME, A VERY INTERESTING GAME ONE COULD
 PLAY.  WHENEVER ONE SOLVED ONE OF THE LITTLE PROBLEMS,
 ONE COULD WRITE A PAPER ABOUT IT.  IT WAS VERY EASY IN
 THOSE DAYS FOR ANY SECOND-RATE PHYSICIST TO DO
 FIRST-RATE WORK.  THERE HAS NOT BEEN SUCH A GLORIOUS
 TIME SINCE.  IT IS VERY DIFFICULT NOW FOR A FIRST-RATE
 PHYSICIST TO DO SECOND-RATE WORK.
     P.A.M. DIRAC, ON THE EARLY DAYS OF QUANTUM MECHANICS
                   DIRECTIONS IN PHYSICS, 1978, P. 7
 Job cpu time:       0 days  7 hours  9 minutes 53.5 seconds.
 Elapsed time:       0 days  0 hours 53 minutes 47.5 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:40:57 2021.
